1421312-36-8

Basic information

• Product Name: [(4-hydroxy-1-methyl-7-phenoxy-isoquinoline-3-carbonyl)amino]acetic acid methyl ester
• Synonyms: [(4-hydroxy-1-methyl-7-phenoxy-isoquinoline-3-carbonyl)amino]acetic acid methyl ester
• CAS NO: 1421312-36-8
• Molecular Weight: 366.373
• Mol File: 1421312-36-8.mol
• Article Data: 8

Chemical Properties

• CAS DataBase Reference: [(4-hydroxy-1-methyl-7-phenoxy-isoquinoline-3-carbonyl)amino]acetic acid methyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: [(4-hydroxy-1-methyl-7-phenoxy-isoquinoline-3-carbonyl)amino]acetic acid methyl ester(1421312-36-8)
• EPA Substance Registry System: [(4-hydroxy-1-methyl-7-phenoxy-isoquinoline-3-carbonyl)amino]acetic acid methyl ester(1421312-36-8)

Safety Data

• Hazardous Substances Data: 1421312-36-8(Hazardous Substances Data)

Usage

Description

[(4-hydroxy-1-methyl-7-phenoxy-isoquinoline-3-carbonyl)amino]acetic acid methyl ester is a complex organic molecule that is a methyl ester derivative of isoquinoline. It contains hydroxy, methyl, phenoxy, and carbonyl functional groups, as well as an amino and carboxylic acid group. Due to its unique structure and functional groups, this compound has potential uses in medicinal chemistry and could potentially exhibit biological activity.

Uses

Used in Medicinal Chemistry:
[(4-hydroxy-1-methyl-7-phenoxy-isoquinoline-3-carbonyl)amino]acetic acid methyl ester is used as a compound in medicinal chemistry for its potential biological activity and therapeutic applications. Its unique structure and functional groups make it a promising candidate for further research and development in the field.
Used in Drug Development:
In the pharmaceutical industry, [(4-hydroxy-1-methyl-7-phenoxy-isoquinoline-3-carbonyl)amino]acetic acid methyl ester is used as a starting material or intermediate in the synthesis of various drugs. Its functional groups can be modified or used as a scaffold to develop new therapeutic agents with specific biological activities.
Used in Chemical Research:
[(4-hydroxy-1-methyl-7-phenoxy-isoquinoline-3-carbonyl)amino]acetic acid methyl ester is used as a research compound in chemical laboratories to study its properties, reactivity, and potential applications. Its unique structure and functional groups make it an interesting subject for scientific investigation and the development of new synthetic methods or reactions.

Upstream product

• 31643-49-9 4-Nitrophthalonitrile 
• 38791-62-7 4-phenoxyphthalonitrile 
• 1421312-35-7 4-hydroxy-1-methyl-7-phenoxy-3-isoquinolinecarboxylic acid 
• 5680-79-5 glycine ethyl ester hydrochloride 
• 37951-15-8 4-phenoxyphthalic acid 
• 21345-01-7 4-phenoxyphthalic anhydride 
• 1421312-31-3 C₁₈H₁₃NO₆ 
• 1421312-32-4 C₁₇H₁₃NO₅ 
• 1421312-33-5 methyl 4-hydroxy-1-chloro-7-phenoxyisoquinoline-3-carboxylate 
• 1421312-34-6 4-hydroxy-1-methyl-7-phenoxyisoquinolinyl-3-carboxylic acid methyl ester 
• 63720-38-7 3-hydroxy-α-methylbenzylamine 
• 31181-23-4 1-methyl-7-hydroxyisoquinoline 
• 1509958-19-3 1-((dimethylamino)methyl)-4-hydroxy-7-phenoxyisoquinolinyl-3-carboxylic acid methyl ester 
• 1455091-04-9 2-(chloromethyl)-4-phenoxybenzoic acid methyl ester 

Downstream Products

• 808118-40-3 [(4-hydroxy-1-methyl-7-phenoxy-isoquinoline-3-carbonyl)-amino]-acetic acid 

Relevant articles and documents

PROCESSES FOR THE PREPARATION OF ROXADUSTAT AND INTERMEDIATES THEREOF

The present invention provides new procedure and intermediates for the preparation of Roxadustat (1) comprising: (A) reducing a compound of formula 3', 3 or a mixture thereof: (3'), (3 ) wherein Pg is H or a OH protecting group, Ri is alkyl, aryl, or arylalkyl; R2, R3, R4, and Rs each independently represents alkyl, arylalkyl or alkenyl, or R2 and R3 and/or R4 and Rs, taken together with the nitrogen atom to which they are bonded, each independently form a ring selected from: (I), wherein R6 is H or CI-6 alkyl; R7 is Ci to C6 alkyl and X- is an anion selected from the group consisting of halide, O-SO4 -R7 wherein R7 is Ci to C6 alkyl, or O-SO2 -Rs wherein Rs is phenyl, tolyl, methyl or trifluoromethyl; to form a compound of formula (2') wherein Pg is H or an OH protecting group, Ri is alkyl, aryl, or arylalkyl; and removing the Ri group and where present removing the OH protecting group; or (B) reducing a compound of formula 4', a compound of formula 4 or a mixture thereof: (4'), (4 ) wherein Pg is H or an OH protecting group; Ri is H, alkyl, aryl, or arylalkyl; R2, R3, R4, and R5 each independently represents alkyl, aryl, arylalkyl or alkenyl; or R2 is Ci-4 alkyl and R3 is Ci-4 alkoxy; or R2 and R3 and/or R4 and R5, taken together with the nitrogen atom to which they are bonded, each independently form a group selected from: (I) wherein R6 is H or CI-6 alkyl; and where Ri is not H, removing the Ri group, and, where present removing the OH protecting group.

Preparation method of isoquinolinone compound

The invention provides a preparation method of an isoquinolinone compound, which creatively uses a condensation agent composition of HOBT-EDCI in a specific ratio and the optimal acid binding agent dosage, so that the yield of a compound F is improved; and the reaction solvent is a dichloromethane-water mixture, so that after the reaction is finished, the high-purity compound F can be obtained only by standing and layering a reaction solution and then spin-drying an organic layer. According to the method, complex post-treatment steps in the prior art are avoided and the layered water layer canbe continuously used for preparing the compound F, so that materials are greatly saved, the production operation is facilitated, the economic cost is reduced, and the environmental pollution is reduced. Besides, in the preparation process of the compound C, tetramethyl ethylenediamine is skillfully used, so that the yield of the compound C is greatly improved compared with that in the prior art.

A [...] his preparation method (by machine translation)

The invention discloses a method for preparing [...] he, [...] he the chemical name is N - [(4 - hydroxy - 1 - methyl - 7 - phenoxy - 3 - isoquinoline) carbonyl] glycine; the process of the invention has simple process, raw materials are easy, economic and environmental protection, help to realize industrialization, [...] he raw material can promote the economic and technological development, and reduces the production cost, high yield, low environmental pollution, is suitable for mass production. (by machine translation)