ChemicalBook > CAS DataBase List > BENZOIC ACID, 2-[[(1,1-DIMETHYLETHOXY)CARBONYL]AMINO]-3-NITRO-METHYL ESTER

BENZOIC ACID, 2-[[(1,1-DIMETHYLETHOXY)CARBONYL]AMINO]-3-NITRO-METHYL ESTER

Product Name: BENZOIC ACID, 2-[[(1,1-DIMETHYLETHOXY)CARBONYL]AMINO]-3-NITRO-METHYL ESTER
CAS No.: 57113-90-3
Chemical Name: BENZOIC ACID, 2-[[(1,1-DIMETHYLETHOXY)CARBONYL]AMINO]-3-NITRO-METHYL ESTER
Synonyms: 3-nitro-, methyl ester;Azilsartan Impurity 51;Azilsartan Impurity 95;Azilsartan Impurity 133;Methyl 2-(Boc-amino)-3-nitrobenzoate;METHYL-2-[(T-BOC)-AMINO]-3-NITROBENZOATE;methyl 2-(tert-butoxycarbonyl)-3-nitrobenzoate;2-(Boc-amino)-3-nitrobenzoic Acid Methyl Ester;2-tertbutoxycarbonylmino-3-nitrobenzoate methyl;Methyl 2-[(tert-butoxycarbonyl)aMino]-3-nitroben
CBNumber: CB2784463
Molecular Formula: C13H16N2O6
Formula Weight: 296.28
MOL File: 57113-90-3.mol

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BENZOIC ACID, 2-[[(1,1-DIMETHYLETHOXY)CARBONYL]AMINO]-3-NITRO-METHYL ESTER Property

Melting point:: 104.0 to 108.0 °C
Boiling point:: 376.9±32.0 °C(Predicted)
Density: 1.298±0.06 g/cm3(Predicted)
storage temp.: Store at room temperature
solubility: Dichloromethane
form: Solid
pka: 11.96±0.70(Predicted)
color: Yellow

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Safety

HS Code: 2922.49.3700

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Hazard and Precautionary Statements (GHS)

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N-Bromosuccinimide Price

TCI Chemical

Product number: M2797
Product name: Methyl 2-(tert-Butoxycarbonylamino)-3-nitrobenzoate
Purity: >98.0%(GC)
Packaging: 5g
Price: $194
Updated: 2025/07/31

TCI Chemical

Product number: M2797
Product name: Methyl 2-(tert-Butoxycarbonylamino)-3-nitrobenzoate
Purity: >98.0%(GC)
Packaging: 25g
Price: $581
Updated: 2025/07/31

TRC

Product number: M330010
Product name: Methyl 2-(tert-Butoxycarbonylamino)-3-nitrobenzoate
Packaging: 500mg
Price: $1320
Updated: 2021/12/16

TRC

Product number: M330010
Product name: Methyl 2-(tert-Butoxycarbonylamino)-3-nitrobenzoate
Packaging: 50mg
Price: $165
Updated: 2021/12/16

American Custom Chemicals Corporation

Product number: CHM0151563
Product name: BENZOICACID, 2-(((1,1-DIMETHYLETHOXY)CARBONYL)AMINO)-3-NITRO-METHYL ESTER
Purity: 95.00%
Packaging: 500MG
Price: $1963.5
Updated: 2021/12/16

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BENZOIC ACID, 2-[[(1,1-DIMETHYLETHOXY)CARBONYL]AMINO]-3-NITRO-METHYL ESTER Chemical Properties,Usage,Production

Chemical Properties

Yellow Solid

Uses

Intermediate in the synthesis of nonpeptide angiotensin II receptor antagonists.

Synthesis

21606-04-2

121-44-8

75-65-0

57113-90-3

Methyl 3-nitro-2-carboxybenzoate (164 kg) was used as a raw material and dissolved in dimethylformamide (DMF, 242 kg). Diphenylphosphoryl azide (DPPA, 204 kg) was added to the solution at room temperature, followed by the slow dropwise addition of triethylamine (87 kg) while controlling the reaction temperature between 20 and 35 °C. After the reaction mixture was stirred at 20 to 30 °C for about 3 hours, tert-butanol (930 kg) was added. Subsequently, the reaction temperature was raised to 85 to 90 °C over a period of 3 to 5 hours and stirred and refluxed at this temperature for 1 to 2 hours. Upon completion of the reaction, the reaction solution was cooled and concentrated. The concentrated residue was dissolved in ethyl acetate (1400 L) and washed sequentially with a mixture of 15% hydrochloric acid (160 L) and water (1890 L), water (660 L), 5% aqueous sodium bicarbonate (1100 kg), and water (660 L). The organic layer was concentrated under reduced pressure to give a crude product. The crude product was dissolved in methanol (300 kg), crystalline seed (15 kg) and additional methanol (450 kg) were added and heated to 50-60 °C to dissolve it completely. Subsequently cooled, the precipitated crystals were separated and washed with cold methanol (100 L) and dried to give methyl 2-((tert-butoxycarbonyl)amino)-3-nitrobenzoate (BAN, 187.0 kg, 86% yield). The mother liquor and washings were concentrated under reduced pressure and cooled, and the precipitated crystals were separated by centrifugation, washed with cold methanol and dried to give a second batch of BAN crystals. The product was analyzed by 1H-NMR (200 MHz, CDCl3) and IR (KBr) to confirm the structure.

References

[1] Patent: EP1420016, 2004, A1. Location in patent: Page 31-32

BENZOIC ACID, 2-[[(1,1-DIMETHYLETHOXY)CARBONYL]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-[[(1,1-DIMETHYLETHOXY)CARBONYL]AMINO]-3-NITRO-METHYL ESTER manufacturers

Shaanxi Dideu Medichem Co. Ltd

Product: BENZOIC ACID, 2-[[(1,1-DIMETHYLETHOXY)CARBONYL]AMINO]-3-NITRO-METHYL ESTER 57113-90-3
Price: US $0.10/KG
Min. Order: 1KG
Purity: 99.0%
Supply Ability: 1000 tons
Release date: 2020-04-24

PNP Biotech Co. Ltd

Product: Methyl 2-((tert-butoxycarbonyl)-amino)-3-nitrobenzoate 57113-90-3
Price: US $0.00/KG
Min. Order: 25KG
Purity: 98%-99%
Supply Ability: Inquiry
Release date: 2022-10-21

Jiangsu Boquan Biotechnology Co., Ltd.

Product: BENZOIC ACID, 2-[[(1,1-DIMETHYLETHOXY)CARBONYL]AMINO]-3-NITRO-METHYL ESTER 57113-90-3
Price: US $58.30/g
Min. Order: 50g
Purity: 99%
Supply Ability: 1kg
Release date: 2023-02-21

57113-90-3, BENZOIC ACID, 2-[[(1,1-DIMETHYLETHOXY)CARBONYL]AMINO]-3-NITRO-METHYL ESTERRelated Search:

Methyl 2-(aminomethyl)nicotinate hydrochloride Ethyl-2-Ethoxy-1-[[(2'-Cyanobiphenyl-4-yl) Methyl] Benzimidazole]-7-Carboxylate Ethyl -2-ethoxy-1-[[(2-(1Htetrazol-5-yl)biphenyl-4-yl-) methyl] 2-[[(2'-Cyano[1,1'-biphenyl]-4-yl)methyl]amino]-3-nitro-benzoic acid ethyl ester BENZOIC ACID, 2-[[(2'-CYANO[1,1'-BIPHENYL]-4-YL)METHYL]AMINO]-3-NITRO-METHYL ESTER 2-[1.1-dimethyl ethyl ethoxy carbonyl]amino-3-nitro benzoic acid ethyl ester Ethyl-2-Ethoxy-1-[[(2'-(1h-Tetrazol-5-Yl)Biphenyl-4-Yl)Methyl]Benzimidazole]-7-Carboxylate 3-AMINO-2-TERT-BUTOXYCARBONYLAMINO-BENZOIC ACID METHYL ESTER BENZOIC ACID, 2-[[(1,1-DIMETHYLETHOXY)CARBONYL]AMINO]-3-NITRO-METHYL ESTER ETHYL-2-T-BUTOXY-2-CARBOXYLAMINO-3-NITROBENZOATE (2-AMINO-6-METHYL-PHENYL)-CARBAMIC ACID TERT-BUTYL ESTER Methyl 2-amino-3-nitrobenzoate methyl 2-[(ethoxycarbonyl)amino]benzoate Methyl 2,3-diaminobenzoate (2-AMINO-PHENYL)-CARBAMIC ACID TERT-BUTYL ESTER

Methyl 2- (1,1-diMethylethoxy)carbonyl -3-nitrobenzoate

Methyl 2-[(tert-butoxycarbonyl)aMino]-3-nitroben

Methyl 2-(<i>tert</i>-Butoxycarbonylamino)-3-nitrobenzoate

METHYL-2-[(T-BOC)-AMINO]-3-NITROBENZOATE

METHYL 2-([(1,1-DIMETHYLETHOXY)CARBONYL]AMINO)-3-NITROBENZOATE

BENZOIC ACID, 2-[[(1,1-DIMETHYLETHOXY)CARBONYL]AMINO]-3-NITRO-METHYL ESTER

Methyl-2-(tert-butoxy carbonyl amino)-3-nitro benzoate

3-nitro-, methyl ester

Benzoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-

methyl 2-(N-tert-butoxycarbonylamino)-3-nitrobenzoate

2-[[(1,1-DiMethylethoxy)carbonyl]aMino]-3-nitrobenzoic Acid Methyl Ester

2-([(1,1-Dimethylethoxy)Carbonyl]Amino)-3-Nitrobenzoate

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

methyl 2-(tert-butoxycarbonyl)-3-nitrobenzoate

2-tertbutoxycarbonylmino-3-nitrobenzoate methyl

2-(Boc-amino)-3-nitrobenzoic Acid Methyl Ester

2-(tert-Butoxycarbonylamino)-3-nitrobenzoic Acid Methyl Ester

Methyl 2-(Boc-amino)-3-nitrobenzoate

Azilsartan Impurity 51

Methyl-2-[Tert-butoxycarbonyl amino-3-nitrobenzoate]- (CAN2)

TIANFU-CHEM - BENZOIC ACID, 2-[[(1,1-DIMETHYLETHOXY)CARBONYL]AMINO]-3-NITRO-METHYL ESTER

Azilsartan Impurity 95

Methyl 2- (tert butoxy-2-formamide) -3-nitrobenzoate

Methyl2-(tert-butoxy-2-carboxamido)-3-nitrobenzoate

Azilsartan Impurity 133

57113-90-3

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