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Methyl 2-[[(2′-cyano[1,1′-biphenyl]-4-yl)methyl]amino]-3-nitrobenzoate

Methyl 2-[[(2′-cyano[1,1′-biphenyl]-4-yl)methyl]amino]-3-nitrobenzoate structure

CAS No:
139481-28-0
Formula:
C22H17N3O4
Chemical Name:
Methyl 2-[[(2′-cyano[1,1′-biphenyl]-4-yl)methyl]amino]-3-nitrobenzoate
Synonyms:
Benzoic acid,2-[[(2′-cyano[1,1′-biphenyl]-4-yl)methyl]amino]-3-nitro-,methyl ester;Methyl 2-[[(2′-cyano[1,1′-biphenyl]-4-yl)methyl]amino]-3-nitrobenzoate;Methyl 2-[[(2′-cyanobiphenyl-4-yl)methyl]amino]-3-nitrobenzoate
Categories:
Pharmaceutical Intermediates > Cardiovascular Agents

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Methyl 2-[[(2′-cyano[1,1′-biphenyl]-4-yl)methyl]amino]-3-nitrobenzoate Basic Attributes

Molecular Weight：

387.38808

Exact Mass：

387.39

EC Number：

604-135-1

DSSTox ID：

DTXSID00576391

HScode：

2926909090

Characteristics

PSA：

108

XLogP3：

Density：

1.3±0.1 g/cm3

Boiling Point：

595.5°C at 760 mmHg

Flash Point：

313.9±30.1 °C

Refractive Index：

1.655

Vapor Pressure：

0mmHg at 25°C

Methyl 2-[[(2′-cyano[1,1′-biphenyl]-4-yl)methyl]amino]-3-nitrobenzoate Use and Manufacturing

Methods of Manufacturing

30.1 g of methyl 2-tert-butoxycarbonylamino-3-nitrobenzoate [BAN], 40.8 g of potassium carbonate and 160 ml of acetonitrile were added to the acetonitrile solution in which unreacted 2-(4-methylphenyl)benzonitrile [MPB] and 2-(4, 4-dibromomethylphenyl)benzonitrile as an analogue of BMB were contaminated, and the reaction was allowed to proceed at about 82 °C for about 5 hours under stirring.

Uses

Intermediate in the synthesis of nonpeptide angiotensin II receptor antagonists.

Computed Properties

Molecular Weight:387.4
XLogP3:5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:387.12190603
Monoisotopic Mass:387.12190603
Topological Polar Surface Area:108
Heavy Atom Count:29
Complexity:617
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Latest News on Methyl 2-[[(2′-cyano[1,1′-biphenyl]-4-yl)methyl]amino]-3-nitrobenzoate

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Guide of Methyl 2-[[(2′-cyano[1,1′-biphenyl]-4-yl)methyl]amino]-3-nitrobenzoate

Basic Attributes
Characteristics
Use and Manufacturing
Computed Properties
Latest News
Learn More Other Chemicals

Methyl 2-[[(2′-cyano[1,1′-biphenyl]-4-yl)methyl]amino]-3-nitrobenzoate

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