212322-56-0

Basic information

• Product Name: 3-[(3-AMINO-4-METHYLAMINO-BENZOYL)-PYRIDIN-2-YL-AMINO]-PROPIONIC ACID ETHYL ESTER
• Synonyms: 3-[(3-AMINO-4-METHYLAMINO-BENZOYL)-PYRIDIN-2-YL-AMINO]-PROPIONIC ACID ETHYL ESTER;N-[3-amino-4-(methylamino)benzoyl]-N-2-pyridinyl-β-Alanine,ethylester;Ethyl 3-(3-amino-4-(methylamino)-N-(pyridin-2-yl)benzamido)propanoate;Dabigatran Intermediate 1;Ethyl 3-{1-[3-aMino-4-(MethylaMino)-phenyl]-N-(pyridin-2-yl)-forMaMido}-propanoate;ethyl (2S)-2-{1-[3-aMino-4-(MethylaMino)phenyl]-N-(pyridin-2-yl)forMaMido}propanoate;3-[3-aMino-4-(MethylaMinobenzoyl)-pyridin-2-ylaMni] propionic acid ethyl ester;Ethyl N-[3-aMino-4-(MethylaMino)benzoyl]-N-pyridin-2-yl-beta-alaninate
• CAS NO: 212322-56-0
• Molecular Formula: C₁₈H₂₂N₄O₃
• Molecular Weight: 342.39228
• EINECS: 1806241-263-5
• Product Categories: Intermediate of Dabigatran;pyridine;Dabigatran intermediate
• Mol File: 212322-56-0.mol
• Article Data: 20

Chemical Properties

• Melting Point: 104.0 to 108.0 °C
• Boiling Point: 576.155 °C at 760 mmHg
• Flash Point: 302.248 °C
• Appearance: /
• Density: 1.262 g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.64
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• Solubility: DMSO (Slightly), Methanol (Slightly)
• PKA: 5.37±0.11(Predicted)
• CAS DataBase Reference: 3-[(3-AMINO-4-METHYLAMINO-BENZOYL)-PYRIDIN-2-YL-AMINO]-PROPIONIC ACID ETHYL ESTER(CAS DataBase Reference)
• NIST Chemistry Reference: 3-[(3-AMINO-4-METHYLAMINO-BENZOYL)-PYRIDIN-2-YL-AMINO]-PROPIONIC ACID ETHYL ESTER(212322-56-0)
• EPA Substance Registry System: 3-[(3-AMINO-4-METHYLAMINO-BENZOYL)-PYRIDIN-2-YL-AMINO]-PROPIONIC ACID ETHYL ESTER(212322-56-0)

Safety Data

• Hazardous Substances Data: 212322-56-0(Hazardous Substances Data)

Usage

Uses

Different sources of media describe the Uses of 212322-56-0 differently. You can refer to the following data:
1. Alzheimer's disease therapeutic, Co Q10 analog, antioxidant
2. Ethyl 3-(3-amino-4-(methylamino)-N-(pyridin-2-yl)benzamido)propanoate is the impurity of Dabigatran (D100090), which is a nonpeptide, direct thrombin inhibitor and is antithrombotic.

InChI:InChI=1/C18H22N4O3/c1-3-25-17(23)9-11-22(16-6-4-5-10-21-16)18(24)13-7-8-15(20-2)14(19)12-13/h4-8,10,12,20H,3,9,11,19H2,1-2H3

Upstream product

• 1187067-71-5 4-(methylamine)-3-nitrobenzoic acid hydrochloride 
• 1187067-68-0 ethyl 3-[[4-(methylamino)-3-nitrobenzoyl](pyridin-2-yl)amino]propanoate hydrochloride 
• 41263-74-5 4-(methylamino)-3-nitrobenzoic acid 
• 82357-48-0 4-methylamino-3-nitro-benzoic acid chloride 
• 429659-01-8 ethyl 3-{[{1-(methylamino)-2-nitrophen-4-yl}carbonyl](pyridyn-2-yl)amino}propanoate 
• 140-88-5 ethyl acrylate 
• 504-29-0 2-aminopyridine 
• 103041-38-9 2-chloromethyl-1-methyl-1H-benzimidazole-5 ethyl acetate 
• 38818-50-7 4-chloro-3-nitro-benzoyl chloride 
• 96-99-1 4-chloro-3-nitrobenzoate 

Downstream Products

• 211915-84-3 3-[[[2-[[(4-cyanophenyl)amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl](pyridin-2-yl)amino]propionic acid ethyl ester 
• 211915-87-6 1-methyl-2-[N-(4-cyanophenyl)-N-methyl-aminomethyl]-benzimidazol-5-yl-carboxylic acid-N-(2-pyridyl)-N-(2-ethoxycarbonylethyl)-amide 
• 1188417-09-5 1-methyl-2-[N-(4-cyanophenyl)aminomethyl]benzimidazole-5-ylcarboxylic acid N-(2-pyridyl)-N-(2-ethoxycarbonylethyl)amide acetate salt 
• 211915-06-9 dabigatran etexilate 
• 948551-71-1 3-({3-[2-(4-cyano-phenylamino)-acetylamino]-4-methylamino-benzoyl}-pyridin-2-yl-amino)-ethyl propanoate 
• 211915-06-9 dabigatran etexilate 
• 1411034-25-7 ethyl N-{[1-methyl-2-({[4-(5-methoxymethyl-1,2,4-oxadiazol-3-yl)phenyl]amino}methyl)-1H-benzimidazol-5-yl]carbonyl}-N-(pyridin-2-yl)-β-alaninate 
• 1411034-23-5 ethyl {[1-methyl-2-({[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]amino}methyl)-1H-benzimidazol-5-yl]carbonyl}-N-(pyridine-2-yl)-β-alaninate 
• 1411034-28-0 ethyl N-{[1-methyl-2-({[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]amino}methyl)-1H-benzimidazol-5-yl]carbonyl}-N-(pyridin-2-yl)-β-alaninate oxalate salt 
• 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 
• 872728-84-2 1-methyl-2-[N-[4-(1,2,4-oxadiazol-5-one-3-yl)phenyl]-amino-methyl]-benzimidazol-5-yl-carboxylic acid N-(2-pyridyl)-N-(2-ethoxycarbonylethyl)amide 

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.

A process for preparing darbey adds the group ester method

The invention discloses a dabigatran etexilate preparation method. The method comprises the following steps: preparing an intermediate 1, preparing an intermediate 2, preparing an intermediate 3, preparing an intermediate 4, preparing an intermediate 5, preparing an intermediate 6, and preparing dabigatran etexilate. The preparation method has the advantages of cheap and easily available raw materials, easy operation, easy control, high reaction yield, high product purity, and suitableness for the large-scale industrial production of dabigatran etexilate.

Preparation technique of dabigatran methanesulfonate

The invention discloses a preparation technique of dabigatran methanesulfonate. The technique comprises the following steps: 1) by using a compound I and glycine as raw materials, carrying out condensation and salification to obtain a compound II; 2) by using p-halobenzonitrile (III) as a raw material, synthesizing p-halobenzamidine (IV) under the actions of a catalyst and an aminating agent, and carrying out condensation on the p-halobenzamidine (IV) and n-hexyl chloroacetate to obtain a compound V; and 3) carrying out condensation and salification on the compound V and the compound II to obtain the dabigatran methanesulfonate. The synthesis method has the advantages of mild reaction conditions for each step and high selectivity, and is simple to operate. The dabigatran methanesulfonate has high yield and purity. The technique has the advantages of less discharge of three wastes and environment friendliness, does not need column chromatography purification, and is suitable for industrial production.