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CAS 156474-22-5

Chemistry, 1 End Use API, 26 Related Intermediates

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Also known as: 156474-22-5, Threo-n-boc-d-phenylalanine epoxide, 98818-35-0, (2s,3r)-3-(tert-butoxycarbonylamino)-1,2-epoxy-4-phenylbutane, Tert-butyl n-[(1r)-1-[(2s)-oxiran-2-yl]-2-phenylethyl]carbamate, Mfcd08061626

Molecular Formula

C₁₅H₂₁NO₃

Molecular Weight

263.33 g/mol

InChI Key

NVPOUMXZERMIJK-CHWSQXEVSA-N

1 2D Structure

CAS 156474-22-5

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

tert-butyl N-[(1R)-1-[(2S)-oxiran-2-yl]-2-phenylethyl]carbamate

2.1.2 InChI

InChI=1S/C15H21NO3/c1-15(2,3)19-14(17)16-12(13-10-18-13)9-11-7-5-4-6-8-11/h4-8,12-13H,9-10H2,1-3H3,(H,16,17)/t12-,13-/m1/s1

2.1.3 InChI Key

NVPOUMXZERMIJK-CHWSQXEVSA-N

2.1.4 Canonical SMILES

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C2CO2

2.1.5 Isomeric SMILES

CC(C)(C)OC(=O)N[C@H](CC1=CC=CC=C1)[C@H]2CO2

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 156474-22-5

2. Threo-n-boc-d-phenylalanine Epoxide

3. 98818-35-0

4. (2s,3r)-3-(tert-butoxycarbonylamino)-1,2-epoxy-4-phenylbutane

5. Tert-butyl N-[(1r)-1-[(2s)-oxiran-2-yl]-2-phenylethyl]carbamate

6. Mfcd08061626

7. Rel-tert-butyl ((r)-1-((s)-oxiran-2-yl)-2-phenylethyl)carbamate

8. Schembl5865405

9. Zinc4977933

10. Thred-n-boc-d-phenylalanine Epoxide

11. Akos016843910

12. Bs-15259

13. Cs-0154589

14. F20656

15. (2s,3r)-1,2-epoxy-(boc Amino)-4-phenylbutane

16. (2s,3r)-1,2-epoxy-3-(boc-amino)-4-phenylbutane

17. Tert-butyl (r)-1-((s)-oxiran-2-yl)-2-phenylethylcarbamate

18. (2s,3r)-3-[(t-butoxycarbonyl)amino]-4-phenyl-1,2-epoxybutane

19. Rel-tert-butyl((r)-1-((s)-oxiran-2-yl)-2-phenylethyl)carbamate

2.3 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₁₅H₂₁NO₃
Molecular Weight	263.33 g/mol
XLogP3	2.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Exact Mass	263.15214353 g/mol
Monoisotopic Mass	263.15214353 g/mol
Topological Polar Surface Area	50.9 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	305
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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1-BOC-2-[4-(2-PYRIDINYL)BENZYLIDENE]HYDRAZINE (BOCHYDRA...

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CAS Number

198904-85-7

End Use API

Atazanavir

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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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