936539-80-9

Basic information

• Product Name: N-(5-Chloro-2-pyridinyl)-2-[[4-[(dimethylamino)iminomethyl]benzoyl]amino]-5-methoxybenzamide (2Z)-2-butenedioate (1:1)
• Synonyms: Betrixaban maleate;N-(5-Chloro-2-pyridinyl)-2-[[4-[(dimethylamino)iminomethyl]benzoyl]amino]-5-methoxybenzamide (2Z)-2-butenedioate (1:1)
• CAS NO: 936539-80-9
• Molecular Formula: C₄H₄O₄*C₂₃H₂₂ClN₅O₃
• Molecular Weight: 567.97764
• Mol File: 936539-80-9.mol
• Article Data: 9

Chemical Properties

• Appearance: /
• CAS DataBase Reference: N-(5-Chloro-2-pyridinyl)-2-[[4-[(dimethylamino)iminomethyl]benzoyl]amino]-5-methoxybenzamide (2Z)-2-butenedioate (1:1)(CAS DataBase Reference)
• NIST Chemistry Reference: N-(5-Chloro-2-pyridinyl)-2-[[4-[(dimethylamino)iminomethyl]benzoyl]amino]-5-methoxybenzamide (2Z)-2-butenedioate (1:1)(936539-80-9)
• EPA Substance Registry System: N-(5-Chloro-2-pyridinyl)-2-[[4-[(dimethylamino)iminomethyl]benzoyl]amino]-5-methoxybenzamide (2Z)-2-butenedioate (1:1)(936539-80-9)

Safety Data

• Hazardous Substances Data: 936539-80-9(Hazardous Substances Data)

Usage

General Description

N-(5-Chloro-2-pyridinyl)-2-[[4-[(dimethylamino)iminomethyl]benzoyl]amino]-5-methoxybenzamide (2Z)-2-butenedioate (1:1) is a chemical compound with a complex structure that includes a benzamide group, a pyridinyl group, and a butenedioate group. It is commonly used as a synthetic intermediate in the production of pharmaceuticals, agrochemicals, and other organic compounds. N-(5-Chloro-2-pyridinyl)-2-[[4-[(dimethylamino)iminomethyl]benzoyl]amino]-5-methoxybenzamide (2Z)-2-butenedioate (1:1) is also known for its potential biological activities, including anticancer, antimicrobial, and antiviral properties. Furthermore, its use in various fields of science and industry makes it a valuable and versatile chemical compound.

Upstream product

• 330942-05-7 betrixaban 
• 110-16-7 maleic acid 
• 330942-01-3 N-(5-chloro(2-pyridyl)){2-[(4-cyanophenyl)carbonylamino]-5-methoxyphenyl}carboxamide 
• 280773-17-3 2-amino-N-(5-chloro-pyridin-2-yl)-5-methoxy-benzamide 
• 619-65-8 4-cyanobenzoic Acid 

Relevant articles and documents

Crystalline Form of Betrixaban Maleate

The present invention provides a novel crystalline form of Betrixaban maleate, Betrixaban maleate Form APO-I, including Betrixaban maleate and dimethyl sulfoxide, compositions and processes for the preparation thereof, and the use of this crystalline form

Synthetic process of betrixaban

The invention provides a synthetic process of betrixaban, and particularly relates to the field of pharmaceutical manufacturing. S1, 1-(3-dimethyl amine propyl)-3-ethyl carbon imidodicarbonic diamide,N-hydroxysuccinimide (NHS) and paracyanobenzoic acid are introduced into a solution, and activation of cyanobenzoic acid is achieved; S2, the activated cyanobenzoic acid reacts with 2-amine-N-(5-chlorine group-2-pyridyl)-5-methoxybenzamide, appropriate methyl alcohol is added in a reaction container, cooling is conducted for devitrification, and a midbody I is obtained through filter; S3, moistureless condition is guaranteed, and acetylchloride is dropwise added; the midbody I is added, and evaporation is conducted until it is guaranteed that materials are dried; reaction with a tetrahydrofuran solution of dimethylamine is conducted, and a midbody II is generated under action of sodium hydroxide; and S4, the midbody II reacts with maleic acid at 60-70 DEG C to obtain the betrixaban. According to the synthetic process of the betrixaban, the reaction condition is mild, the yield is high, impurities are less, gas preparation is reduced, corrosion on equipment is reduced, and the cost oflater-stage environmental protective treatment is low.

Preparation method of betrixaban maleate

The invention provides a preparation method of betrixaban maleate. According to the preparation method, paracyanobenzoic acid and 2-amino-N-(5-chloro-2-pyridyl)-5-methoxy benzamide are subjected to acoupled reaction; in a coupling process, a new coupling catalyst is selected for use; EDC and NHS are applied to a combined way; a coupling product reacts with alcohol under the acidic condition so asto generate pinner salt; in the process, acetyl chloride is enabled to react with alcohols, so that hydrogen chloride needed by the reaction is provided. The way of directly introducing hydrogen chloride gas is eliminated, so that gas preparation and corrosion of equipment are reduced. In a whole reaction process, the method is mild in reaction conditions and higher in yield, thus being suitablefor industrial production.