1421312-35-7

Basic information

• Product Name: methyl 1-chloro-4-hydroxy-7-phenoxyisoquinoline-3-carboxylate
• Synonyms: methyl 1-chloro-4-hydroxy-7-phenoxyisoquinoline-3-carboxylate;4-hydroxy-1-methyl-7-phenoxy-3-Isoquinolinecarboxylic acid
• CAS NO: 1421312-35-7
• Molecular Formula: C₁₇H₁₃NO₄
• Molecular Weight: 329.73448
• EINECS: -0
• Mol File: 1421312-35-7.mol
• Article Data: 11

Chemical Properties

• Boiling Point: 552.7±50.0 °C(Predicted)
• Appearance: /
• Density: 1.376±0.06 g/cm3(Predicted)
• PKA: 0.10±0.30(Predicted)
• CAS DataBase Reference: methyl 1-chloro-4-hydroxy-7-phenoxyisoquinoline-3-carboxylate(CAS DataBase Reference)
• NIST Chemistry Reference: methyl 1-chloro-4-hydroxy-7-phenoxyisoquinoline-3-carboxylate(1421312-35-7)
• EPA Substance Registry System: methyl 1-chloro-4-hydroxy-7-phenoxyisoquinoline-3-carboxylate(1421312-35-7)

Safety Data

• Hazardous Substances Data: 1421312-35-7(Hazardous Substances Data)

Usage

Description

Methyl 1-chloro-4-hydroxy-7-phenoxyisoquinoline-3-carboxylate is a chemical compound that belongs to the class of organic compounds known as phenolic ethers. These are aromatic compounds containing an ether group substituted with a benzene ring. This particular compound has the molecular formula C19H14ClNO4. Although it hasn't been widely studied or utilized, its unique structure suggests potential applications in various fields. As with all chemicals, necessary precautions should be taken while handling and storing this compound. More unequivocal scientific investigations are needed to explore its potential uses and impact.

Uses

Due to the limited research on methyl 1-chloro-4-hydroxy-7-phenoxyisoquinoline-3-carboxylate, its applications are not well-defined. However, based on its chemical structure and properties, it can be hypothesized that it may have potential uses in the following areas:
Used in Pharmaceutical Industry:
Methyl 1-chloro-4-hydroxy-7-phenoxyisoquinoline-3-carboxylate could be used as a starting material or intermediate in the synthesis of pharmaceutical compounds. Its phenolic ether structure may allow for the development of new drugs with unique properties and therapeutic effects.
Used in Chemical Research:
As a member of the phenolic ether class, methyl 1-chloro-4-hydroxy-7-phenoxyisoquinoline-3-carboxylate may be used in academic and industrial research settings to study the properties and reactivity of this class of compounds. This could lead to the discovery of new reactions, synthesis methods, or applications.
Used in Material Science:
The unique structure of methyl 1-chloro-4-hydroxy-7-phenoxyisoquinoline-3-carboxylate may also make it a candidate for use in the development of new materials with specific properties, such as optical, electronic, or mechanical characteristics. Further research would be required to determine its suitability for these applications.

Upstream product

• 60-18-4 L-tyrosine 
• 1080-06-4 L-Tyr-OMe 
• 660844-52-0 2-amino-3-(4-phenoxyphenyl)propionic acid methyl ester 
• 1455091-04-9 2-(chloromethyl)-4-phenoxybenzoic acid methyl ester 
• 64169-34-2 5-bromophthalide 
• 57830-14-5 5-phenoxy-3H-isobenzofuran-1-one 
• 593-90-8 trimethylborane 
• 1421312-33-5 methyl 4-hydroxy-1-chloro-7-phenoxyisoquinoline-3-carboxylate 
• 13061-96-6 dihydroxy-methyl-borane 
• 1455091-21-0 1-bromo-4-hydroxy-7-phenoxyisoquinoline-3-carboxylic acid methyl ester 
• 1455091-10-7 4-hydroxy-7-phenoxyisoquinoline-3-carboxylic acid methyl ester 

Downstream Products

• 1421312-36-8 [(4-hydroxy-1-methyl-7-phenoxy-isoquinoline-3-carbonyl)amino]acetic acid methyl ester 
• 808118-40-3 [(4-hydroxy-1-methyl-7-phenoxy-isoquinoline-3-carbonyl)-amino]-acetic acid 

Relevant articles and documents

A Scalable Synthesis of Roxadustat (FG-4592)

A scalable five-step protocol for synthesis of roxadustat, an orally administered hypoxia-inducible factor-propyl hydroxylase inhibitor (HIF-PHI), was developed with an emphasis placed on aspects of medicinal chemistry. The isoquinoline core of the molecule was prepared using a purposefully designed cyclocondensation in which both the cyclocondensation and demasking of the groups being condensed is promoted by a common acid agent in one step. Roxadustat was obtained pure in a very competitive overall yield across all reaction steps and in compliance with permissible residual Pd level in API.

Method for preparing isoquinolinone compound

The invention provides a method for preparing an isoquinolinone compound. Specifically, the invention provides a method for preparing a compound as shown in a formula 3, which is characterized by comprising the following steps: 1) reacting a compound as shown in a formula 1 with acyl chloride to obtain a compound as shown in a formula 2; and 2) reacting the compound of the formula 2 with an aminolysis reagent selected from glycine, glycine derivatives, or a combination thereof, and then carrying out a hydrolysis reaction to obtain a compound of a formula 3. The method disclosed by the invention has the excellent technical effects of reasonable route, convenience, feasibility, high preparation yield and purity, suitability for industrial production and the like.

Preparation method of drug for chronic anemia

The invention discloses a synthesis method for a drug Roxadustat for chronic anemia. The synthesis method comprises the following steps: hydrolyzing and acidifying a compound shown as a formula 6 under the action of alkali to obtain a key intermediate compound shown as a formula 7; carrying out condensation reaction on the compound shown as the formula 7 and carbonyl diimidazole under suitable conditions to obtain an intermediate compound shown as a formula 8, and separating or not separating the compound shown as the formula 8 from a system to directly take part in subsequent reaction; and finally, reacting the product with glycine to obtain a final product Roxadustat shown as a formula 9. The preparation method has the advantages that the route efficiency is improved, the process cost isreduced, side products are reduced and the purity of a final product is favorably improved (The formula is shown in the description), wherein R2 in the compound shown as the formula 6 represents alkyl, and includes but not limited to methyl, ethyl, isopropyl, tertiary butyl or benzyl.