429659-01-8

Basic information

• Product Name: ETHYL N-[4-(METHYLAMINO)-3-NITROBENZOYL]-N-PYRIDIN-2-YL-SS-ALANINATE
• Synonyms: ETHYL N-[4-(METHYLAMINO)-3-NITROBENZOYL]-N-PYRIDIN-2-YL-SS-ALANINATE;Ethyl 3-(4-(methylamino)-3-nitro-N-(pyridin-2-yl)benzamido)propanoate;Ethyl 3-(4-(ethylaMino)-3-nitro-N-(pyridin-2-yl)benzaMido)propanoate;N-[4-(MethylaMino)-3-nitrobenzoyl]-N-2-pyridinyl-alanine ethyl ester;Ethyl 3-[[4-(MethylaMino)-3-nitrobenzoyl](pyridin-2-yl)aMino]propanoate;β-Alanine, N-[4-(MethylaMino)-3-nitrobenzoyl]-N-2-pyridinyl-, ethyl ester;ethyl 3-{1-[4-(MethylaMino)-3-nitrophenyl]-N-(pyridin-2-yl)forMaMido}propanoate;N-[4-(MethylaMino)-3-nitrobenzoyl]-N-2-pyridinyl-, ethyl ester Alanine
• CAS NO: 429659-01-8
• Molecular Formula: C₁₈H₂₀N₄O₅
• Molecular Weight: 386.406
• EINECS: 1533716-785-6
• Product Categories: Intermediate of Dabigatran
• Mol File: 429659-01-8.mol
• Article Data: 13

Chemical Properties

• Melting Point: 86-88 °C
• Boiling Point: 583.339 °C at 760 mmHg
• Flash Point: 306.592 °C
• Appearance: /
• Density: 1.326 g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.631
• PKA: 2.62±0.10(Predicted)
• CAS DataBase Reference: ETHYL N-[4-(METHYLAMINO)-3-NITROBENZOYL]-N-PYRIDIN-2-YL-SS-ALANINATE(CAS DataBase Reference)
• NIST Chemistry Reference: ETHYL N-[4-(METHYLAMINO)-3-NITROBENZOYL]-N-PYRIDIN-2-YL-SS-ALANINATE(429659-01-8)
• EPA Substance Registry System: ETHYL N-[4-(METHYLAMINO)-3-NITROBENZOYL]-N-PYRIDIN-2-YL-SS-ALANINATE(429659-01-8)

Safety Data

• Hazardous Substances Data: 429659-01-8(Hazardous Substances Data)

Usage

Uses

Imatinib intermediate

InChI:InChI=1/C18H20N4O5/c1-3-27-17(23)9-11-21(16-6-4-5-10-20-16)18(24)13-7-8-14(19-2)15(12-13)22(25)26/h4-8,10,12,19H,3,9,11H2,1-2H3

Upstream product

• 103041-38-9 2-chloromethyl-1-methyl-1H-benzimidazole-5 ethyl acetate 
• 140-88-5 ethyl acrylate 
• 504-29-0 2-aminopyridine 
• 38818-50-7 4-chloro-3-nitro-benzoyl chloride 
• 1620205-04-0 3-[(4-chloro-3-nitrobenzoyl)pyridin-2-yl-amino]propionic acid ethyl ester 
• 74-89-5 methylamine 
• 96-99-1 4-chloro-3-nitrobenzoate 
• 41263-74-5 4-(methylamino)-3-nitrobenzoic acid 
• 82357-48-0 4-methylamino-3-nitro-benzoic acid chloride 

Downstream Products

• 211915-06-9 dabigatran etexilate 
• 872728-81-9 N-[[2-[[[4-[[[(hexyloxy)carbonyl]amino]iminomethyl]phenyl] amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-(2-pyridinyl)-β-alanine ethyl ester methanesulfonate 
• 1408238-40-3 ethyl 3-[[[2-[[[4-[[[(hexyloxy)carbonyl]amino]carbonyl]phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl](pyridin-2-yl)amino]propanoate 
• 429658-95-7 3-({2-[(4-carbamimidoylphenylamino)methyl]-1-methyl-1H-benzoimidazole-5-carbonyl}pyridin-2-yl-amino)propionic acid ethyl ester 
• 1019206-70-2 dabigatran etexilate fumarate 
• 1019206-79-1 dabigatran etexilate oxalate 
• 211915-06-9 dabigatran etexilate 
• 948551-71-1 3-({3-[2-(4-cyano-phenylamino)-acetylamino]-4-methylamino-benzoyl}-pyridin-2-yl-amino)-ethyl propanoate 
• 211915-84-3 3-[[[2-[[(4-cyanophenyl)amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl](pyridin-2-yl)amino]propionic acid ethyl ester 
• 212322-56-0 ethyl 3-{[{2-amino-1-(methylamino)phen-4-yl}carbonyl](pyridyn-2-yl)amino}propanoate 

Relevant articles and documents

Synthesis, Crystal Structure, and Anti-Gastric Cancer Activity of Ethyl 3-(3-Amino-4-(Methylamino)-N-(Pyridin-2-Yl) Benzamido)Propanoate

A new heterocyclic compound ethyl 3-(3-amino-4-(methylamino)-N-(pyridin-2-yl)benzamido)propanoate (1), designed using 4-(methylamino)-3-nitrobenzoic acid (2) as a starting material is successfully obtained via a multiple synthesis route and finally characterized by IR, 1H NMR, and single crystal X-ray crystallography. In addition, the in vitro anti-cancer activity of newly synthesized complex 1 is emulated against three human gastric cancer cell lines SGC-790, MKN-4, and MKN45.

METHOD FOR PREPARING DABIGATRAN ETEXILATE INTERMEDIATE, AND INTERMEDIATE COMPOUND

Disclosed are a method for preparing a dabigatran etexilate intermediate, and an intermediate compound. The method for preparing a dabigatran etexilate intermediate 4 comprises; reacting a compound 3 with a C1-C3 alkyl alcohol solution of methylamine in an organic solvent, wherein, X=chlorine, bromine, or iodine. Also disclosed are an intermediate compound 3 and a preparation method thereof. The method for preparing a dabigatran etexilate intermediate of the present invention has the advantages of simple process, easy operation, high yield, and easy purification, thus being suitable for industrial production.

A darbey adds the group ester method for the preparation of intermediates

The invention discloses a preparation method of a dabigatran etexilate intermediate. The preparation method of the dabigatran etexilate intermediate 2 comprises that in an aprotic organic solvent, a compound 1 and a C1-C3 alkyl alcohol solution of methylamine undergo a reaction to produce the dabigatran etexilate intermediate, wherein X represents chlorine, bromine or iodine. The preparation method of the dabigatran etexilate intermediate has simple processes, can be operated easily, has a high reaction rate and a high yield, can be purified easily and can produce the product having high purity.