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CAS 102123-74-0
Also known as: 102123-74-0, (s)-tert-butyl (4-chloro-3-oxo-1-phenylbutan-2-yl)carbamate, Tert-butyl n-[(2s)-4-chloro-3-oxo-1-phenylbutan-2-yl]carbamate, Uv1or154q5, Carbamic acid, n-[(1s)-3-chloro-2-oxo-1-(phenylmethyl)propyl]-, 1,1-dimethylethyl ester, (3s)-3-(n-boc-amino)-1-chloro-4-phenyl-2-butanone
Molecular Formula
C15H20ClNO3
Molecular Weight
297.78  g/mol
InChI Key
JAKDNFBATYIEIE-LBPRGKRZSA-N
FDA UNII
UV1OR154Q5

1 2D Structure

CAS 102123-74-0

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
tert-butyl N-[(2S)-4-chloro-3-oxo-1-phenylbutan-2-yl]carbamate
2.1.2 InChI
InChI=1S/C15H20ClNO3/c1-15(2,3)20-14(19)17-12(13(18)10-16)9-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,17,19)/t12-/m0/s1
2.1.3 InChI Key
JAKDNFBATYIEIE-LBPRGKRZSA-N
2.1.4 Canonical SMILES
CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)CCl
2.1.5 Isomeric SMILES
CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)CCl
2.2 Other Identifiers
2.2.1 UNII
UV1OR154Q5
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 102123-74-0

2. (s)-tert-butyl (4-chloro-3-oxo-1-phenylbutan-2-yl)carbamate

3. Tert-butyl N-[(2s)-4-chloro-3-oxo-1-phenylbutan-2-yl]carbamate

4. Uv1or154q5

5. Carbamic Acid, N-[(1s)-3-chloro-2-oxo-1-(phenylmethyl)propyl]-, 1,1-dimethylethyl Ester

6. (3s)-3-(n-boc-amino)-1-chloro-4-phenyl-2-butanone

7. Tert-butyl (s)-(4-chloro-3-oxo-1-phenylbutan-2-yl)carbamate

8. (3s)-(-)-3-tert-butoxycarbonylamino-1-chloro-4-phenyl-2-butanone

9. Carbamic Acid, N-((1s)-3-chloro-2-oxo-1-(phenylmethyl)propyl)-, 1,1-dimethylethyl Ester

10. Unii-uv1or154q5

11. Schembl638877

12. Dtxsid40432942

13. Jakdnfbatyieie-lbprgkrzsa-n

14. Amy21566

15. Bcp08425

16. Cs-b0125

17. Mfcd11041198

18. Akos016842989

19. Ac-8237

20. Ds-14730

21. En300-7407696

22. A800518

23. J-501274

24. Z1505699083

25. (3s)-1-chloro-3-tert-butoxycarbonylamino-4-phenyl-2-butanone

26. (3s)-3-tert-butoxycarbonylamino -1-chloro-4-phenyl-2-butanone

27. (3s)-3-tert-butoxycarbonylamino-1 -chloro-4-phenyl-2-butanone

28. (3s)-3-tert-butoxycarbonylamino-1-chloro -4-phenyl-2-butanone

29. (3s)-3-tert-butoxycarbonylamino-1-chloro-4-phenyl-2-butanone

30. (s)-tert-butyl(4-chloro-3-oxo-1-phenylbutan-2-yl)carbamate

31. [1(s)-benzyl-2-oxo-3-chloropropyl]carbamic Acid T-butyl Ester

32. Tert-butyl [(2s)-4-chloro-3-oxo-1-phenylbutan-2-yl]carbamate

33. Tert-butyl N-((1s)-1-benzyl-3-chloro-2-oxopropyl)carbamate

34. N-(t-butoxycarbonyl)-(3s)-3-amino-1-chloro-4-phenyl-2-butanone

35. N-(tert-butyloxycarbonyl)-(3s)-3-amino-1-chloro-4-phenyl-2-butanone

2.4 Create Date
2006-10-25
3 Chemical and Physical Properties
Molecular Weight 297.78 g/mol
Molecular Formula C15H20ClNO3
XLogP33.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area55.4
Heavy Atom Count20
Formal Charge0
Complexity333
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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OctaneX Labs is a leading intermediates and Active Pharmaceutical Ingredients (API) manufacturing company...
OctaneX Labs is a leading intermediates and Active Pharmaceutical Ingredients (API) manufacturing company specializing in the development of innovative processes for the synthesis of a wide range of products. We also undertake custom pharmaceutical services and contract Research Synthesis. We are commited to create better quality of life by being at the forefront of research, manufacturing and marketing of high quality API'S.As a growing organization, we are aware that we can’t achieve our goals singly. We collaborate and work in unison with a large number of reputed and like-minded partners
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501921-30-8
Darunavir
OctaneX Labs is a leading intermediates and Active Pharmaceutical Ingredients (API) manufacturing company...
OctaneX Labs is a leading intermediates and Active Pharmaceutical Ingredients (API) manufacturing company specializing in the development of innovative processes for the synthesis of a wide range of products. We also undertake custom pharmaceutical services and contract Research Synthesis. We are commited to create better quality of life by being at the forefront of research, manufacturing and marketing of high quality API'S.As a growing organization, we are aware that we can’t achieve our goals singly. We collaborate and work in unison with a large number of reputed and like-minded partners
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191226-98-9
Darunavir
OctaneX Labs is a leading intermediates and Active Pharmaceutical Ingredients (API) manufacturing company...
OctaneX Labs is a leading intermediates and Active Pharmaceutical Ingredients (API) manufacturing company specializing in the development of innovative processes for the synthesis of a wide range of products. We also undertake custom pharmaceutical services and contract Research Synthesis. We are commited to create better quality of life by being at the forefront of research, manufacturing and marketing of high quality API'S.As a growing organization, we are aware that we can’t achieve our goals singly. We collaborate and work in unison with a large number of reputed and like-minded partners
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160232-08-6
Darunavir
OctaneX Labs is a leading intermediates and Active Pharmaceutical Ingredients (API) manufacturing company...
OctaneX Labs is a leading intermediates and Active Pharmaceutical Ingredients (API) manufacturing company specializing in the development of innovative processes for the synthesis of a wide range of products. We also undertake custom pharmaceutical services and contract Research Synthesis. We are commited to create better quality of life by being at the forefront of research, manufacturing and marketing of high quality API'S.As a growing organization, we are aware that we can’t achieve our goals singly. We collaborate and work in unison with a large number of reputed and like-minded partners
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98737-29-2
Darunavir
OctaneX Labs is a leading intermediates and Active Pharmaceutical Ingredients (API) manufacturing company...
OctaneX Labs is a leading intermediates and Active Pharmaceutical Ingredients (API) manufacturing company specializing in the development of innovative processes for the synthesis of a wide range of products. We also undertake custom pharmaceutical services and contract Research Synthesis. We are commited to create better quality of life by being at the forefront of research, manufacturing and marketing of high quality API'S.As a growing organization, we are aware that we can’t achieve our goals singly. We collaborate and work in unison with a large number of reputed and like-minded partners
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253265-97-3
Darunavir
OctaneX Labs is a leading intermediates and Active Pharmaceutical Ingredients (API) manufacturing company...
OctaneX Labs is a leading intermediates and Active Pharmaceutical Ingredients (API) manufacturing company specializing in the development of innovative processes for the synthesis of a wide range of products. We also undertake custom pharmaceutical services and contract Research Synthesis. We are commited to create better quality of life by being at the forefront of research, manufacturing and marketing of high quality API'S.As a growing organization, we are aware that we can’t achieve our goals singly. We collaborate and work in unison with a large number of reputed and like-minded partners
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156928-09-5
Darunavir
OctaneX Labs is a leading intermediates and Active Pharmaceutical Ingredients (API) manufacturing company...
OctaneX Labs is a leading intermediates and Active Pharmaceutical Ingredients (API) manufacturing company specializing in the development of innovative processes for the synthesis of a wide range of products. We also undertake custom pharmaceutical services and contract Research Synthesis. We are commited to create better quality of life by being at the forefront of research, manufacturing and marketing of high quality API'S.As a growing organization, we are aware that we can’t achieve our goals singly. We collaborate and work in unison with a large number of reputed and like-minded partners
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CAS-98737-29-2
Darunavir
We are Rampex Labs, a fully cGMP compliant pharmaceutical intermediates plant located in the outskirts of...
We are Rampex Labs, a fully cGMP compliant pharmaceutical intermediates plant located in the outskirts of Hyderabad, India. Our company was founded in 2004 with commercial operations starting initially by outsourcing our production. In January 2008, our own production became operational and our journey really began. From our inception, we have strived to be the best and work with the best. Our client list comprises of some of the leading API producers within India and abroad. We at Rampex strongly believe that commitment to quality and timely deliveries ensure a very smooth working relationship with all our customers.
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870-46-2
Atazanavir
Sanpra Synthesis strongly believes that with its expertise and innovative pharmaceutical business backgro...
Sanpra Synthesis strongly believes that with its expertise and innovative pharmaceutical business background, it is aptly positioned for APIs and intermediates manufacturing and outsourcing for the global market. We also undertake custom synthesis and contract manufacturing. Setting up multiple c GMP-manufacturing facility and world-class R&D center located in Vizag APSEZ De-notified area with well connected to road, rail, and air enabling cargo movement to the nearest transport facility in commercial production from January 2020.
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1122-91-4
Atazanavir
Established in the early 90’s SCL offers a wide range of Active Pharmaceutical Ingredients and Intermed...
Established in the early 90’s SCL offers a wide range of Active Pharmaceutical Ingredients and Intermediates to its customers worldwide. SCL’s products are exported to Europe, Japan, Russia, South and Central America, ASEAN, W. Asia, MENA regions. SCL’s manufacturing facilities have been built to comply with EU GMP and U.S. FDA norms, and the API facility has been successfully certified as EU GMP compliant five times by the European Authorities. Latest certification was carried out by German Health Authority.
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253265-97-3
Darunavir
SGMR Pharmaceuticals is a renowned Loan License manufacturer of API’s and Intermediates. They speciali...
SGMR Pharmaceuticals is a renowned Loan License manufacturer of API’s and Intermediates. They specialize in the product manufacturing and export of Bulk drugs Products and Intermediates. The customers and buyers include reputed pharmaceutical companies of the US, Europe, Middle-East, Africa, Latin America, and the CIS region, Asian Countries. Starting from a single product line, SGMR Pharmaceuticals Pvt Ltd has emerged as a diversified multi-product company, with interests in the production of API Products and API Intermediates
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(2R,3S)-N-(tert- butoxycarbonyl)-3-amino-1,2- epoxy-4-p...

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98760-08-8
Atazanavir
Founded in 1983, ST Pharm (formerly known as Samchully Pharmaceutical) has been offering excellent custom...
Founded in 1983, ST Pharm (formerly known as Samchully Pharmaceutical) has been offering excellent custom manufacturing services of APIs and their intermediates to meet clients’ high expectation for their use in pharmaceutical development and be compliant to cGMP requirements. Our reliability in service, which is well-proven through decades of business relationship with many big pharmas and biotech clients, is the essence of our strength along with our expertise in process development and scale-up optimization.
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593-71-5
Darunavir
SURVIVAL is one of the leading manufacturers in the field of Fine and Specialty Chemicals actively involv...
SURVIVAL is one of the leading manufacturers in the field of Fine and Specialty Chemicals actively involved in CRAMS, Custom Synthesis & Bulk Production offering new generation products in complex chemistry to Pharmaceutical, Agrochemical and Petrochemical companies. It has a very strong R&D set up & we can assure fast turn around in Synthsizing molecules. With our deep understanding of science and chemistry, we are into functional chemistry, custom synthesis and contract manufacturing catering to many reputed Indian and overseas customers.
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198904-85-7
Atazanavir
SURVIVAL is one of the leading manufacturers in the field of Fine and Specialty Chemicals actively involv...
SURVIVAL is one of the leading manufacturers in the field of Fine and Specialty Chemicals actively involved in CRAMS, Custom Synthesis & Bulk Production offering new generation products in complex chemistry to Pharmaceutical, Agrochemical and Petrochemical companies. It has a very strong R&D set up & we can assure fast turn around in Synthsizing molecules. With our deep understanding of science and chemistry, we are into functional chemistry, custom synthesis and contract manufacturing catering to many reputed Indian and overseas customers.
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198904-85-7
Atazanavir
SURVIVAL is one of the leading manufacturers in the field of Fine and Specialty Chemicals actively involv...
SURVIVAL is one of the leading manufacturers in the field of Fine and Specialty Chemicals actively involved in CRAMS, Custom Synthesis & Bulk Production offering new generation products in complex chemistry to Pharmaceutical, Agrochemical and Petrochemical companies. It has a very strong R&D set up & we can assure fast turn around in Synthsizing molecules. With our deep understanding of science and chemistry, we are into functional chemistry, custom synthesis and contract manufacturing catering to many reputed Indian and overseas customers.
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593-71-5
Darunavir
SURVIVAL is one of the leading manufacturers in the field of Fine and Specialty Chemicals actively involv...
SURVIVAL is one of the leading manufacturers in the field of Fine and Specialty Chemicals actively involved in CRAMS, Custom Synthesis & Bulk Production offering new generation products in complex chemistry to Pharmaceutical, Agrochemical and Petrochemical companies. It has a very strong R&D set up & we can assure fast turn around in Synthsizing molecules. With our deep understanding of science and chemistry, we are into functional chemistry, custom synthesis and contract manufacturing catering to many reputed Indian and overseas customers.
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160233-25-0
Atazanavir
Zenfold Sustainable Technologies (ZST) is a specialty and fine chemicals company, established in 2021. Ou...
Zenfold Sustainable Technologies (ZST) is a specialty and fine chemicals company, established in 2021. Our advanced technological capabilities and state-of-the-art infrastructure allow us to provide the entire gamut of services involved in manufacturing and contract research — from process development to scaling up. We offer a wide range of APIs and intermediates to customers across industries. We differentiate ourselves in the market with our unique hybridized approach to manufacturing, built on our three core technological platforms: Synthetic Biology, Biotransformation, and Green Chemistry.
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