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
- Molecular Weight:
- 387.39
- MDL Number:
- MFCD09029084
- MOL File:
- 139481-28-0.mol
- MSDS File:
- SDS
| Product description | Number | Pack Size | Price |
| 2-[[(2''-Cyano[1,1''-biphenyl]-4-yl)methyl]amino]-3-nitro-benzoicAcidMethylEster | C988320 | 100mg | $1110 |
| BENZOICACID, 2-(((2'-CYANO(1,1'-BIPHENYL)-4-YL)METHYL)AMINO)-3-NITRO-METHYLESTER 95.00% | CHM0151564 | 100MG | $1871.1 |
| 2-[[(2??-Cyano[1,1??-biphenyl]-4-yl)methyl]amino]-3-nitro-benzoicAcidMethylEster | 56190 | 100mg | $2120 |
| Methyl-2-[[(2'-cyanobiphenyl-4-yl)methyl]amino]-3-nitrobenzoate | Y6572 | 100mg | $88 |
| Methyl-2-[[(2'-cyanobiphenyl-4-yl)methyl]amino]-3-nitrobenzoate | Y6572 | 1g | $162 |
| More product size | |||
| 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 |
SAFETY
Risk and Safety Statements
| Symbol(GHS) | ![]() GHS07 |
|---|---|
| Signal word | Warning |
| Hazard statements | H302-H315-H319-H335 |
| Precautionary statements | P261-P305+P351+P338 |
BENZOIC ACID, 2-[[(2'-CYANO[1,1'-BIPHENYL]-4-YL)METHYL]AMINO]-3-NITRO-METHYL ESTER price
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| TRC | C988320 | 2-[[(2''-Cyano[1,1''-biphenyl]-4-yl)methyl]amino]-3-nitro-benzoicAcidMethylEster | 139481-28-0 | 100mg | $1110 | 2021-12-16 | Buy |
| American Custom Chemicals Corporation | CHM0151564 | BENZOICACID, 2-(((2'-CYANO(1,1'-BIPHENYL)-4-YL)METHYL)AMINO)-3-NITRO-METHYLESTER 95.00% | 139481-28-0 | 100MG | $1871.1 | 2021-12-16 | Buy |
| Medical Isotopes, Inc. | 56190 | 2-[[(2??-Cyano[1,1??-biphenyl]-4-yl)methyl]amino]-3-nitro-benzoicAcidMethylEster | 139481-28-0 | 100mg | $2120 | 2021-12-16 | Buy |
| AK Scientific | Y6572 | Methyl-2-[[(2'-cyanobiphenyl-4-yl)methyl]amino]-3-nitrobenzoate | 139481-28-0 | 100mg | $88 | 2021-12-16 | Buy |
| AK Scientific | Y6572 | Methyl-2-[[(2'-cyanobiphenyl-4-yl)methyl]amino]-3-nitrobenzoate | 139481-28-0 | 1g | $162 | 2021-12-16 | Buy |
BENZOIC ACID, 2-[[(2'-CYANO[1,1'-BIPHENYL]-4-YL)METHYL]AMINO]-3-NITRO-METHYL ESTER Chemical Properties,Uses,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
| Supplier | Tel | Country | ProdList | Advantage | |
|---|---|---|---|---|---|
| Shanghai Worldyang Chemical Co.,Ltd. | +86-021-56795779 +8613651600618 | sales@worldyachem.com | China | 967 | 58 |
| career henan chemical co | +86-0371-86658258 +8613203830695 | factory@coreychem.com | China | 29795 | 58 |
| Univar Solutions(China) Co., Ltd. | +8615902132654 | ivy.zhuang@univarsolutions.com | China | 654 | 58 |
| Neostar United (Changzhou) Industrial Co., Ltd. | +86-0519-85551759 +8613506123987 | marketing1@neostarunited.com | China | 8830 | 58 |
| Shanghai UCHEM Inc. | +862156762820 +86-13564624040 | sales@myuchem.com | China | 8566 | 58 |
| AFINE CHEMICALS LIMITED | +86-0571-85134551 | sales@afinechem.com | China | 15086 | 58 |
| Dayang Chem (Hangzhou) Co.,Ltd. | +86-0571-88938639 +8617705817739 | info@dycnchem.com | China | 52846 | 58 |
| Hangzhou Benoy Chemical Co., Ltd | +8617342059697 | sales@benoychem.com | China | 315 | 58 |
| Hefei TNJ Chemical Industry Co.,Ltd. | +86-0551-65418684 +8618949823763 | sales@tnjchem.com | China | 25356 | 58 |
| PNP Biotech Co. Ltd | +8618516098983 | sales@pnpbiotech.com | China | 1001 | 58 |
View Lastest Price from BENZOIC ACID, 2-[[(2'-CYANO[1,1'-BIPHENYL]-4-YL)METHYL]AMINO]-3-NITRO-METHYL ESTER manufacturers
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2024-03-28 | Methyl2-((2'-cyanobiphenyl-4-yl)methylamino)-3-nitrobenzoate
139481-28-0
|
US $0.00 / KG | 25KG | 98%-99% | Inquiry | PNP Biotech Co. Ltd | |
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2020-01-05 | BENZOIC ACID, 2-[[(2'-CYANO[1,1'-BIPHENYL]-4-YL)METHYL]AMINO]-3-NITRO-METHYL ESTER
139481-28-0
|
US $7.00 / KG | 1KG | 99% | 100KG | Career Henan Chemical Co |
-

- Methyl2-((2'-cyanobiphenyl-4-yl)methylamino)-3-nitrobenzoate
139481-28-0
- US $0.00 / KG
- 98%-99%
- PNP Biotech Co. Ltd
-
![BENZOIC ACID, 2-[[(2'-CYANO[1,1'-BIPHENYL]-4-YL)METHYL]AMINO]-3-NITRO-METHYL ESTER pictures](https://img.chemicalbook.com/ProductImageEN/2020-1/Small/f64de29a-f4ed-4ee2-92e2-d79743421092.jpg)
- BENZOIC ACID, 2-[[(2'-CYANO[1,1'-BIPHENYL]-4-YL)METHYL]AMINO]-3-NITRO-METHYL ESTER
139481-28-0
- US $7.00 / KG
- 99%
- Career Henan Chemical Co
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