872728-84-2

Basic information

• Product Name: ethyl 3-(1-Methyl-2-((4-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)phenylaMino)Methyl)-N-(pyridin-2-yl)-1H-benzo[d]iMidazole-5-carboxaMido)propanoate
• Synonyms: ethyl 3-(1-Methyl-2-((4-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)phenylaMino)Methyl)-N-(pyridin-2-yl)-1H-benzo[d]iMidazole-5-carboxaMido)propanoate;.beta.-Alanine, N-[[2-[[[4-(2,5-dihydro-5-oxo-1,2,4-oxadiazol-3-yl)phenyl]aMino]Methyl]-1-Methyl-1H-benziMidazol-5-yl]carbonyl]-N-2-pyridinyl-, ethyl ester;Ethyl 3-(1-methyl-2-(((4-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)phenyl)amino)-methyl)-N-(pyridin;Ethyl 3-(1-methyl-2-(((4-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl);-N-(pyridin-2-yl);Ethyl 3-(1-methyl-2-(((4-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)phenyl)amino)-methyl)-N-(pyri
• CAS NO: 872728-84-2
• Molecular Formula: C₂₈H₂₇N₇O₅
• Molecular Weight: 543.57376
• Mol File: 872728-84-2.mol

Chemical Properties

• Appearance: /
• CAS DataBase Reference: ethyl 3-(1-Methyl-2-((4-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)phenylaMino)Methyl)-N-(pyridin-2-yl)-1H-benzo[d]iMidazole-5-carboxaMido)propanoate(CAS DataBase Reference)
• NIST Chemistry Reference: ethyl 3-(1-Methyl-2-((4-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)phenylaMino)Methyl)-N-(pyridin-2-yl)-1H-benzo[d]iMidazole-5-carboxaMido)propanoate(872728-84-2)
• EPA Substance Registry System: ethyl 3-(1-Methyl-2-((4-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)phenylaMino)Methyl)-N-(pyridin-2-yl)-1H-benzo[d]iMidazole-5-carboxaMido)propanoate(872728-84-2)

Safety Data

• Hazardous Substances Data: 872728-84-2(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
Ethyl 3-(1-Methyl-2-((4-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)phenylamino)methyl)-N-(pyridin-2-yl)-1H-benzo[d]imidazole-5-carboxamido)propanoate is used as a potential pharmaceutical compound for its possible biological activity and structural complexity, which may contribute to the development of new drugs or therapeutic agents.
Used in Agrochemical Industry:
In the agrochemical industry, ethyl 3-(1-Methyl-2-((4-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)phenylamino)methyl)-N-(pyridin-2-yl)-1H-benzo[d]imidazole-5-carboxamido)propanoate may be utilized as a potential active ingredient in the development of new pesticides, herbicides, or other agrochemical products, due to its unique chemical structure and potential interactions with biological systems.
Used in Materials Science:
Ethyl 3-(1-Methyl-2-((4-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)phenylamino)methyl)-N-(pyridin-2-yl)-1H-benzo[d]imidazole-5-carboxamido)propanoate could be explored for its potential applications in materials science, such as the development of new polymers, coatings, or other advanced materials, leveraging its structural complexity and functional groups for specific properties or performance enhancements.

InChI:InChI=1S/C28H27N7O5/c1-3-39-25(36)13-15-35(23-6-4-5-14-29-23)27(37)19-9-12-22-21(16-19)31-24(34(22)2)17-30-20-10-7-18(8-11-20)26-32-28(38)40-33-26/h4-12,14,16,30H,3,13,15,17H2,1-2H3,(H,32,33,38)

Upstream product

• 872728-82-0 2-[4-(1,2,4-oxadiazol-5-one-3-yl)-phenylamino]-acetic acid 
• 212322-56-0 ethyl 3-{[{2-amino-1-(methylamino)phen-4-yl}carbonyl](pyridyn-2-yl)amino}propanoate 

Downstream Products

• 429658-95-7 3-({2-[(4-carbamimidoylphenylamino)methyl]-1-methyl-1H-benzoimidazole-5-carbonyl}pyridin-2-yl-amino)propionic acid ethyl ester 
• 872728-85-3 1-methyl-2-[N-(4-amidino-phenyl)-aminomethyl]-benzimidazol-5-yl-carboxylic acid N-(2-pyridyl)-N-2-(ethoxycarbonylethyl)-amide p-toluenesulfonic acid salt 
• 211915-06-9 ethyl 3-(1-{2-[({4-[amino({[(hexyloxy)carbonyl]imino})methyl]phenyl}amino)methyl]-1-methyl-1H-1,3-benzodiazol-5-yl}-N-(pyridin-2-yl)formamido)propanoate 

Relevant articles and documents

METHOD FOR PRODUCING AN INTERMEDIATE PRODUCT OF DABIGATRAN ETEXILATE

The invention relates to a process for preparing the compound of formula 1 a valuable intermediate product in the synthesis of the pharmaceutical active substance dabigatran etexilate.

IMPROVED PROCESS FOR THE PREPARATION OF 4-(BENZIMIDAZOLYLMETHYLAMINO)-BENZAMIDES AND THE SALTS THEREOF

The invention relates to a process for preparing an optionally substituted 4-benzimidazol- 2-ylmethylamino)-benzamidine, characterised in that (a) an optionally correspondingly substituted diaminobenzene is condensed with 2 [4- (1,2,4-oxadiazol-5-on-3-yl)-phenylamino]-acetic acid, (b) i) the product thus obtained is hydrogenated and ii) optionally the amidino group is carbonylated, without isolating the intermediate product of the hydrogenation beforehand; as well as a process for preparing a salt of an optionally substituted 4(benzimidazol-2-ylmethylamino)-benzamidine, wherein (a) an optionally correspondingly substituted diaminobenzene is condensed with 2-[4-(1,2,4-oxadiazol-5-on-3-yl)-phenylamino]-acetic acid, (b) the product thus obtained is hydrogenated, and (c) i) optionally the amidino group is carbonylated and ii) without prior isolation of the intermediate product of the carbonylation the desired salt is isolated.

IMPROVED PROCESS FOR THE PREPARATION OF THE SALTS OF 4-(BENZIMIDAZOLYLMETHYLAMINO)-BENZAMIDES

The invention relates to a process for preparing a salt of an optionally substituted 4-benzimidazol-2-ylmethylamino)-benzamidine, characterised in that (a) an optionally correspondingly substituted diaminobenzene is condensed with 2-[4-(1,2,4-oxadiazol-5-on-3-yl)-phenylamino]-acetic acid, b) i) the product thus obtained is hydrogenated, ii) optionally the amidino group is carbonylated, without isolating the intermediate product of the hydrogenation beforehand and iii) without prior isolation of the intermediate product of the carbonylation the desired salt is isolated.