Saurav Chemicals

CAS 102123-74-0

Chemistry, 2 End Use API, 60 Related Intermediates

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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 Formula	C₁₅H₂₀ClNO₃
Molecular Weight	297.78 g/mol
XLogP3	3.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	7
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	55.4
Heavy Atom Count	20
Formal Charge	0
Complexity	333
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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CAS Number

1122-91-4

End Use API

Atazanavir

About the Company

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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