Pmc Isochem

CAS 124605-42-1

Chemistry, 2 End Use API, 28 Related Intermediates

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Also known as: 124605-42-1, (2r,3s)-n-boc-3-phenylisoserine methyl ester, Methyl (2r,3s)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate, (2r,3s)-n-tert-butoxycarbonyl-3-phenyl-isoserine methyl ester, Methyl (2r,3s)-n-tert-butoxycarbonyl-3-phenyl isoserinate, (2r,3s)-n-boc-3-phenylisoserinemethylester

Molecular Formula

C₁₅H₂₁NO₅

Molecular Weight

295.33 g/mol

InChI Key

NCALQERIBRYGOK-NWDGAFQWSA-N

1 2D Structure

CAS 124605-42-1

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

methyl (2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate

2.1.2 InChI

InChI=1S/C15H21NO5/c1-15(2,3)21-14(19)16-11(12(17)13(18)20-4)10-8-6-5-7-9-10/h5-9,11-12,17H,1-4H3,(H,16,19)/t11-,12+/m0/s1

2.1.3 InChI Key

NCALQERIBRYGOK-NWDGAFQWSA-N

2.1.4 Canonical SMILES

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

2.1.5 Isomeric SMILES

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

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 124605-42-1

2. (2r,3s)-n-boc-3-phenylisoserine Methyl Ester

3. Methyl (2r,3s)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate

4. (2r,3s)-n-tert-butoxycarbonyl-3-phenyl-isoserine Methyl Ester

5. Methyl (2r,3s)-n-tert-butoxycarbonyl-3-phenyl Isoserinate

6. (2r,3s)-n-boc-3-phenylisoserinemethylester

7. Schembl6784979

8. Methyl(2r,3s)-n-tert-butoxycarbonyl-3-phenylisoserinate

9. Dtxsid501132493

10. Amy16006

11. Ac-517

12. Mfcd09037385

13. Zinc12506667

14. Akos015964432

15. Methyl (2r,3s)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-3-phenylpropanoate

16. As-11438

17. Cs-0022808

18. En300-88053

19. F14147

20. 605h421

21. Methyl (2r,3s)-3-t-butoxycarbonylamino-2-hydroxy-3-phenylpropionate

22. Methyl (2r,3s)-3-(tert-butoxycarbonylamino)-2-hydroxy-3-phenylpropanoate

23. (2r,3s)-2-hydroxy-3-(n-tertbutoxycarbonyl) Amino-3-phenyl-methyl Propionate

24. (2r,3s)-2-hydroxy-3-(tert-butoxycarbonylamino)-3-phenylpropionic Acid Methyl Ester

25. 3-(2,2-dimethyl-propoxycarbonylamino)-2-hydroxy-3-phenyl-propionic Acid Methyl Ester

26. Benzenepropanoic Acid, Beta-[[(1,1-dimethylethoxy)carbonyl]amino]-alpha-hydroxy-, Methyl Ester, (alphar,betas)-

27. Methyl (alphar,betas)-beta-[[(1,1-dimethylethoxy)carbonyl]amino]-alpha-hydroxybenzenepropanoate

2.3 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₁₅H₂₁NO₅
Molecular Weight	295.33 g/mol
XLogP3	1.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	7
Exact Mass	295.14197277 g/mol
Monoisotopic Mass	295.14197277 g/mol
Topological Polar Surface Area	84.9 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	358
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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CAS Number

17341-93-4

End Use API

Docetaxel

About the Company

PMC Isochem is a CDMO company acquired by PMC International in 2017. It manufactures cGMP intermediates, ...

PMC Isochem is a CDMO company acquired by PMC International in 2017. It manufactures cGMP intermediates, active pharmaceutical ingredients and functional excipients for pharmaceutical and personal care companies worldwide. Its business includes research, product and process development, pilot-scale, industrial production and regulatory approvals support. It adds value to its clients' intellectual property through constant innovation in manufacturing techniques throughout the product life cycle. PMC Isochem's facilities are located within 60 miles of Paris and are all US FDA-audited plants.