Guangdong Raffles Pharmatech Co Ltd

CAS 159622-09-0

Chemistry, 1 End Use API, 25 Related Intermediates

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Also known as: 159622-09-0, (1r,2s)-1-tert-butoxycarbonylamino-2-vinyl-cyclopropanecarboxylic acid methyl ester, Methyl (1r,2s)-2-ethenyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate, Cyclopropanecarboxylic acid, 1-[[(1,1-dimethylethoxy)carbonyl]amino]-2-ethenyl-, methyl ester, (1r,2s)-, Cyclopropanecarboxylic acid,1-[[(1,1-dimethylethoxy)carbonyl]amino]-2-ethenyl-,methyl ester,(1r,2s)-, (1r,2s)-1-[[(1,1-dimethylethoxy)carbonyl]amino]-2-ethenyl-cyclopropanecarboxylic acid methyl ester

Molecular Formula

C₁₂H₁₉NO₄

Molecular Weight

241.28 g/mol

InChI Key

MMSKTMKTGVHMAV-PRHODGIISA-N

1 2D Structure

CAS 159622-09-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

methyl (1R,2S)-2-ethenyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate

2.1.2 InChI

InChI=1S/C12H19NO4/c1-6-8-7-12(8,9(14)16-5)13-10(15)17-11(2,3)4/h6,8H,1,7H2,2-5H3,(H,13,15)/t8-,12-/m1/s1

2.1.3 InChI Key

MMSKTMKTGVHMAV-PRHODGIISA-N

2.1.4 Canonical SMILES

CC(C)(C)OC(=O)NC1(CC1C=C)C(=O)OC

2.1.5 Isomeric SMILES

CC(C)(C)OC(=O)N[C@@]1(C[C@H]1C=C)C(=O)OC

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 159622-09-0

2. (1r,2s)-1-tert-butoxycarbonylamino-2-vinyl-cyclopropanecarboxylic Acid Methyl Ester

3. Methyl (1r,2s)-2-ethenyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate

4. Cyclopropanecarboxylic Acid, 1-[[(1,1-dimethylethoxy)carbonyl]amino]-2-ethenyl-, Methyl Ester, (1r,2s)-

5. Cyclopropanecarboxylic Acid,1-[[(1,1-dimethylethoxy)carbonyl]amino]-2-ethenyl-,methyl Ester,(1r,2s)-

6. (1r,2s)-1-[[(1,1-dimethylethoxy)carbonyl]amino]-2-ethenyl-cyclopropanecarboxylic Acid Methyl Ester

7. Schembl583727

8. Dtxsid20439656

9. Amy38851

10. Cs-b0405

11. Zinc38540831

12. (1r,2s)-methyl1-((tert-butoxycarbonyl)amino)-2-vinylcyclopropanecarboxylate

13. Akos016011333

14. N-boc-(1r,2s)-1-amino-2-vinylcyclopropane Carboxylic Acid Methyl Ester

15. Methyl (1r,2s)-1-((tert-butoxycarbonyl)amino)-2-vinylcyclopropane-1-carboxylate

16. Cs-13008

17. A852729

18. N-boc-(1 R,2 S)-1-amino-2-vinylcyclopropane Carboxylic Acid Methyl Ester

19. N-boc-(1r, 2s)-1-amino-2-vinylcyclopropane Carboxylic Acid Methyl Ester

20. N-boc-(1r,2s)-amino-2-vinylcyclopropane Carboxylic Acid Methyl Ester

21. 1-(tert-butoxycarbonylamino)-2alpha-vinylcyclopropane-1alpha-carboxylic Acid Methyl Ester

22. Methyl (1r,2s)-1-[(tert-butoxycarbonyl)amino]-2-ethenylcyclopropane-1-carboxylate

23. Cyclopropanecarboxylic Acid,1-((1,1-dimethylethoxy)carbonylamino)-2-ethenyl-,methyl Ester,(1r,2s)-

24. Cyclopropanecarboxylic Acid,1-[[(1,1-dimethylethoxy)carbonyl]amino]-2-ethenyl-, Methyl Ester, (1r,2s)-

2.3 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₁₂H₁₉NO₄
Molecular Weight	241.28 g/mol
XLogP3	1.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	241.13140809 g/mol
Monoisotopic Mass	241.13140809 g/mol
Topological Polar Surface Area	64.6 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	345
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

1365970-47-3

End Use API

Voxilaprevir

About the Company

Established in August 2011, Raffles PharmaTech is a high-tech enterprise that focus on development, manuf...

Established in August 2011, Raffles PharmaTech is a high-tech enterprise that focus on development, manufacturing and sales of high-value added active pharmaceutical ingredients and intermediates. We are specialized in applying organic catalysts into the process development to lower cost, and to provide cost-effective product and service to customers. With our strong R&D capability and our proprietary organic catalysts, we provide low cost and high quality active pharmaceutical ingredients and intermediates to pharmaceutical companies. We also provide world standard process development, custom synthesis and manufacturing service.

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