CAS 57113-90-3

Chemistry, 2 End Use API, 45 Related Intermediates

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Also known as: 57113-90-3, Methyl 2-(tert-butoxycarbonylamino)-3-nitrobenzoate, Methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-nitrobenzoate, Methyl 2-[(tert-butoxycarbonyl)amino]-3-nitrobenzoate, Benzoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-3-nitro-methyl ester, Methyl 2-(boc-amino)-3-nitrobenzoate

Molecular Formula

C₁₃H₁₆N₂O₆

Molecular Weight

296.28 g/mol

InChI Key

VEDIIGMQOAWKGH-UHFFFAOYSA-N

1 2D Structure

CAS 57113-90-3

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-nitrobenzoate

2.1.2 InChI

InChI=1S/C13H16N2O6/c1-13(2,3)21-12(17)14-10-8(11(16)20-4)6-5-7-9(10)15(18)19/h5-7H,1-4H3,(H,14,17)

2.1.3 InChI Key

VEDIIGMQOAWKGH-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(C)(C)OC(=O)NC1=C(C=CC=C1[N+](=O)[O-])C(=O)OC

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 57113-90-3

2. Methyl 2-(tert-butoxycarbonylamino)-3-nitrobenzoate

3. Methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-nitrobenzoate

4. Methyl 2-[(tert-butoxycarbonyl)amino]-3-nitrobenzoate

5. Benzoic Acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-3-nitro-methyl Ester

6. Methyl 2-(boc-amino)-3-nitrobenzoate

7. Methyl 2-((tert-butoxycarbonyl)-amino)-3-nitrobenzoate

8. 2-(tert-butoxycarbonylamino)-3-nitrobenzoic Acid Methyl Ester

9. Methyl 2-(n-tert-butoxycarbonylamino)-3-nitrobenzoate

10. Methyl 2-t-butoxycarbonylamino-3-nitrobenzoate

11. Schembl1421011

12. Dtxsid60433451

13. Bcp12902

14. Mfcd06797690

15. Akos015960476

16. Benzoicacid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-3-nitro-methyl Ester

17. Ds-4302

18. Ac-11269

19. Db-049938

20. Cs-0188371

21. Ft-0672211

22. M2797

23. 2-(boc-amino)-3-nitrobenzoic Acid Methyl Ester

24. Methyl 2-tert-butoxycarbonylamino-3-nitrobenzoate

25. Methyl 2-((t-butoxycarbonyl)amino)-3-nitrobenzoate

26. Methyl2-((tert-butoxycarbonyl)amino)-3-nitrobenzoate

27. Benzoic Acid,2-[[(1,1-dimethylethoxy)carbonyl]amino]-3-nitro-methyl Ester

2.3 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₁₃H₁₆N₂O₆
Molecular Weight	296.28 g/mol
XLogP3	2.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	110
Heavy Atom Count	21
Formal Charge	0
Complexity	412
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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Methyl 2-[(tert-butoxycarbonyI)amino]-3-nitrobenzoate

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CAS Number

57113-90-3

End Use API

Azilsartan

About the Company

Zhuhai Rundu Pharmaceutical Co., Ltd. is a modern scientific and technological pharmaceutical enterprise ...

Zhuhai Rundu Pharmaceutical Co., Ltd. is a modern scientific and technological pharmaceutical enterprise integrating drug research and development, production, and sales. It is located in Jinwan District, Zhuhai City, Guangdong Province. It was established in 1999. On January 5, 2018, the company was listed on the Shenzhen Stock Exchange (stock abbreviation: Rundu; stock code: 002923). The company's main business is the research and development, production, and sales of chemical-pharmaceutical preparations, chemical raw materials, and pharmaceutical intermediates. field.

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