ChemicalBook > CAS DataBase List > BENZOIC ACID, 2-[[(2'-CYANO[1,1'-BIPHENYL]-4-YL)METHYL]AMINO]-3-NITRO-METHYL ESTER

BENZOIC ACID, 2-[[(2'-CYANO[1,1'-BIPHENYL]-4-YL)METHYL]AMINO]-3-NITRO-METHYL ESTER

Product Name: BENZOIC ACID, 2-[[(2'-CYANO[1,1'-BIPHENYL]-4-YL)METHYL]AMINO]-3-NITRO-METHYL ESTER
CAS No.: 139481-28-0
Chemical Name: BENZOIC ACID, 2-[[(2'-CYANO[1,1'-BIPHENYL]-4-YL)METHYL]AMINO]-3-NITRO-METHYL ESTER
Synonyms: methyl 2-((2'-cyanobiphenyl-4-yl)methylamino)-3-nitrobenzoate;Candesartan Cilexetil Impurity 8;Candesartan Cilexetil Impurity 24;4-yl)methyl]amino]-3-nitro-,methyl ester;Benzoic acid, 2-[[(2'-cyano[1,1'-biphenyl]-;CANDESARTAN INTERMEDIATES ( METHYL ESTER C4 );BENZOIC ACID, 2-[[(2'-CYANO[1,1'-BIPHENYL]-4-YL)METHYL]AMINO...;methyl 2-[[4-(2-cyanophenyl)phenyl]methylamino]-3-nitrobenzoate;Methyl,2-[[(2'-Cyano[1,1'-Biphenyl]-4-yl)methyl]amino]-3-Nitro Benzoate;Methyl 2-(((2'-cyano-[1,1'-biphenyl]-4-yl)methyl)amino)-3-nitrobenzoate
CBNumber: CB4840451
Molecular Formula: C22H17N3O4
Formula Weight: 387.39
MOL File: 139481-28-0.mol

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BENZOIC ACID, 2-[[(2'-CYANO[1,1'-BIPHENYL]-4-YL)METHYL]AMINO]-3-NITRO-METHYL ESTER Property

Melting point:: 133-135°C
Boiling point:: 595.5±50.0 °C(Predicted)
Density: 1.33±0.1 g/cm3 (20 ºC 760 Torr)
storage temp.: under inert gas (nitrogen or Argon) at 2–8 °C
solubility: Chloroform (Slightly), DMSO (Slightly), Ethyl Acetate (Slightly)
form: Solid
pka: -2.55±0.10(Predicted)
color: Off-White to Light Yellow

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Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H302Harmful if swallowed

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

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N-Bromosuccinimide Price

TRC

Product number: C988320
Product name: 2-[[(2''-Cyano[1,1''-biphenyl]-4-yl)methyl]amino]-3-nitro-benzoicAcidMethylEster
Packaging: 100mg
Price: $1110
Updated: 2021/12/16

AK Scientific

Product number: Y6572
Product name: Methyl-2-[[(2'-cyanobiphenyl-4-yl)methyl]amino]-3-nitrobenzoate
Packaging: 100mg
Price: $88
Updated: 2021/12/16

AK Scientific

Product number: Y6572
Product name: Methyl-2-[[(2'-cyanobiphenyl-4-yl)methyl]amino]-3-nitrobenzoate
Packaging: 1g
Price: $162
Updated: 2021/12/16

American Custom Chemicals Corporation

Product number: CHM0151564
Product name: BENZOICACID, 2-(((2'-CYANO(1,1'-BIPHENYL)-4-YL)METHYL)AMINO)-3-NITRO-METHYLESTER
Purity: 95.00%
Packaging: 10MG
Price: $739.2
Updated: 2021/12/16

American Custom Chemicals Corporation

Product number: CHM0151564
Product name: BENZOICACID, 2-(((2'-CYANO(1,1'-BIPHENYL)-4-YL)METHYL)AMINO)-3-NITRO-METHYLESTER
Purity: 95.00%
Packaging: 100MG
Price: $1871.1
Updated: 2021/12/16

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BENZOIC ACID, 2-[[(2'-CYANO[1,1'-BIPHENYL]-4-YL)METHYL]AMINO]-3-NITRO-METHYL ESTER Chemical Properties,Usage,Production

Chemical Properties

Yellow Solid

Uses

Intermediate in the synthesis of nonpeptide angiotensin II receptor antagonists. Candesartan (C175575) impurity. Candesartan Cilexetil (C175580) impurity.

Synthesis

139481-38-2

139481-28-0

30.1 g of methyl 2-((tert-butoxycarbonyl)((2'-cyano-[1,1'-biphenyl]-4-yl)methyl)amino)-3-nitrobenzoate [BAN], 40.8 g of potassium carbonate, and 160 ml of acetonitrile were mixed, and the reaction system may have contained unreacted 2-(4-methylphenyl)benzylcarbonitrile [MPB] and, as a by-product, 2-(4,4-dibromomethylphenyl) benzyl cyanide. The reaction was stirred at 82°C for 5 hours. After completion of the reaction, it was cooled to room temperature, the precipitated crystals were collected by filtration and the filtrate was concentrated to give methyl 2-[N-tert-butoxycarbonyl-N-[(2'-cyanobiphenyl-4-yl)methyl]amino]-3-nitrobenzoate [BBN]. The concentrate was dissolved in 190 g of methanol and 106 g of concentrated hydrochloric acid was added slowly and dropwise. The reaction solution was heated to reflux temperature and kept at reflux stirring for 2 hours. After cooling, the precipitated crystals were collected by filtration and dropwise addition to give 35.1 g of methyl 2-[N-(2'-cyanobiphenyl-4-yl)methylamino]-3-nitrobenzoate [MBN] in 76.1% yield (based on 2-(4-methylphenyl)benzonitrile [MPB]). In Reference Example 4 (2), the resulting concentrate (BBN) was mixed with 3200 L of methanol at 30°C or lower and 1050 L of 35% concentrated hydrochloric acid was added over about 4 hours. The mixture was heated to reflux temperature (67-69°C) at a rate not exceeding 10°C/hour and stirred at reflux for about 1.5 hours. The reaction solution was cooled, 800 L of methanol was added and stirred at 3 to 10 °C for about 1 hour. The precipitated crystals were separated, washed with methanol and dried to give 407 kg of methyl 2-[[(2'-cyanobiphenyl-4-yl)methyl]amino]-3-nitrobenzoate [MBN] in 75% yield (based on MPB). Melting point: 140 to 141 °C. 1H-NMR (200 MHz, DMSO-d6) δ: 3.84 (3H, s), 4.26 (2H, m), 6.86 (1H, t), 7.46 (2H, d), 7.54-7.65 (4H, m), 7.79 (1H, d), 7.95 (1H, dd), 8.05-8.11 ( 2H, m), 8.67 (1H, t).

References

[1] Journal of Medicinal Chemistry, 1993, vol. 36, # 15, p. 2182 - 2195
[2] Patent: EP1420016, 2004, A1. Location in patent: Page 16-17; 18

BENZOIC ACID, 2-[[(2'-CYANO[1,1'-BIPHENYL]-4-YL)METHYL]AMINO]-3-NITRO-METHYL ESTER Preparation Products And Raw materials

Raw materials

Preparation Products

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View Lastest Price from BENZOIC ACID, 2-[[(2'-CYANO[1,1'-BIPHENYL]-4-YL)METHYL]AMINO]-3-NITRO-METHYL ESTER manufacturers

PNP Biotech Co. Ltd

Product: Methyl2-((2'-cyanobiphenyl-4-yl)methylamino)-3-nitrobenzoate 139481-28-0
Price: US $0.00/KG
Min. Order: 25KG
Purity: 98%-99%
Supply Ability: Inquiry
Release date: 2022-10-21

Career Henan Chemical Co

Product: BENZOIC ACID, 2-[[(2'-CYANO[1,1'-BIPHENYL]-4-YL)METHYL]AMINO]-3-NITRO-METHYL ESTER 139481-28-0
Price: US $7.00/KG
Min. Order: 1KG
Purity: 99%
Supply Ability: 100KG
Release date: 2020-01-03

139481-28-0, BENZOIC ACID, 2-[[(2'-CYANO[1,1'-BIPHENYL]-4-YL)METHYL]AMINO]-3-NITRO-METHYL ESTERRelated Search:

2-[[(2'-Cyano[1,1'-biphenyl]-4-yl)methyl]amino]-3-nitro-benzoic acid ethyl ester Methyl 3-aMino-2-((2'-carbaMoylbiphenyl-4-yl)MethylaMino)benzoate Azilsartan Medoxomil (Z)-2-ethoxy-3-((2'-(N'-hydroxycarbaMiMidoyl)biphenyl-4-yl)Methyl)-3H-benzo[d]iMidazole-4-carboxylic acid (Z)-Methyl 3-((2'-(N'-hydroxycarbaMiMidoyl)biphenyl-4-yl)Methyl)-2-oxo-2,3-dihydro-1H-benzo[d]iMidazole-4-carboxylate Azilsartan iMpurity I Methyl 2-oxo-3-((2'-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)biphenyl-4-yl)Methyl)-2,3-dihydro-1H-benzo[d]iMidazole-4-carboxylate Ethyl-2-Ethoxy-1-[[(2'-Cyanobiphenyl-4-yl) Methyl] Benzimidazole]-7-Carboxylate BENZOIC ACID, 2-[[(1,1-DIMETHYLETHOXY)CARBONYL]AMINO]-3-NITRO-METHYL ESTER Methyl 2-ethoxybenzimidazole-7-carboxylate Ethyl -2-ethoxy-1-[[(2-(1Htetrazol-5-yl)biphenyl-4-yl-) methyl] 2-[1.1-dimethyl ethyl ethoxy carbonyl]amino-3-nitro benzoic acid ethyl ester Ethyl-3-Amino-2-[(2'-Cyanoiphenyl-4-yl) Methyl]-Amino Benzoate Ethyl-2-Ethoxy-1-[[(2'-(1h-Tetrazol-5-Yl)Biphenyl-4-Yl)Methyl]Benzimidazole]-7-Carboxylate Methyl 2,3-diaminobenzoate Methyl 2-amino-3-nitrobenzoate 4'-(aminomethyl)biphenyl-2-carbonitrile BENZOIC ACID, 2-[[(2'-CYANO[1,1'-BIPHENYL]-4-YL)METHYL]AMINO]-3-NITRO-METHYL ESTER

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-Nitro Benzoate

4-yl)methyl]amino]-3-nitro-,methyl ester

Benzoic acid, 2-[[(2'-cyano[1,1'-biphenyl]-

methyl 2-((2'-cyanobiphenyl-4-yl)methylamino)-3-nitrobenzoate

Candesartan Cilexetil Impurity 8

CANDESARTAN INTERMEDIATES ( METHYL ESTER C4 )

BENZOIC ACID, 2-[[(2'-CYANO[1,1'-BIPHENYL]-4-YL)METHYL]AMINO...

Candesartan Cilexetil Impurity 24

Methyl 2- ((2 '- cyanobiphenyl-4-yl) methylamino) -3-nitrobenzoate methyl ester

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

2-[[(2'-Cyano[1,1'-biphenyl]-4-yl)methyl]amino]-3-nitro-benzoic acid methyl ester

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

methyl 2-[[4-(2-cyanophenyl)phenyl]methylamino]-3-nitrobenzoate

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

2-[[(2'-Cyano[1,1'-biphenyl]-4-yl)methyl]amino]-3-nitro-benzoic Acid Methyl Ester

139481-28-0

139481-28-9

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