52009-53-7

Basic information

• Product Name: 2-CHLORO-3,4-DIMETHOXYBENZOIC ACID
• Synonyms: 2-CHLORO-3,4-DIMETHOXYBENZOIC ACID;RARECHEM AL BO 0833;2-Chloroveratric acid;Benzoic acid,2-chloro-3,4-dimethoxy-;2-Chloro-3,4-dimethoxybenzoic acid 97%
• CAS NO: 52009-53-7
• Molecular Formula: C₉H₉ClO₄
• Molecular Weight: 216.62
• Product Categories: C9;Carbonyl Compounds;Carboxylic Acids
• Mol File: 52009-53-7.mol
• Article Data: 4

Chemical Properties

• Melting Point: 200-204 °C(lit.)
• Boiling Point: 324.2°C at 760 mmHg
• Flash Point: 149.9°C
• Appearance: /
• Density: 1.337g/cm³
• Vapor Pressure: 0.000102mmHg at 25°C
• Refractive Index: 1.548
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: 3.17±0.28(Predicted)
• CAS DataBase Reference: 2-CHLORO-3,4-DIMETHOXYBENZOIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 2-CHLORO-3,4-DIMETHOXYBENZOIC ACID(52009-53-7)
• EPA Substance Registry System: 2-CHLORO-3,4-DIMETHOXYBENZOIC ACID(52009-53-7)

Safety Data

• Safety Statements: 22-24/25
• WGK Germany: 3
• Hazardous Substances Data: 52009-53-7(Hazardous Substances Data)

Usage

Description

2-Chloro-3,4-dimethoxybenzoic acid is an organic compound characterized by its chlorinated and methoxy-substituted benzoic acid structure. It is a white crystalline solid with potential applications in various chemical and pharmaceutical processes due to its unique molecular structure.

Uses

Used in Pharmaceutical Synthesis:
2-Chloro-3,4-dimethoxybenzoic acid is used as a starting material for the synthesis of various pharmaceutical compounds. Its unique structure allows for further chemical modifications and functionalization, making it a valuable intermediate in the development of new drugs.
Used in the Synthesis of 14C-labelled N-(2-chloro-3,4-dimethoxybenzylideneamino)guanidinium acetate:
In the field of radiochemistry, 2-chloro-3,4-dimethoxybenzoic acid serves as a key starting material in the four-step synthesis of 14C-labelled N-(2-chloro-3,4-dimethoxybenzylideneamino)guanidinium acetate. This radiolabeled compound has potential applications in medical imaging and diagnostic procedures, particularly in the detection and monitoring of various diseases and conditions.

InChI:InChI=1/C9H9ClO4/c1-13-6-4-3-5(9(11)12)7(10)8(6)14-2/h3-4H,1-2H3,(H,11,12)

Upstream product

• 5417-17-4 2-chloro-3,4-dimethoxybenzaldehyde 
• 93-07-2 Veratric acid 
• 925-90-6 ethylmagnesium bromide 

Downstream Products

• 87932-50-1 2-chloro-3,4-dihydroxybenzoic acid 
• 459410-39-0 2-chloro-1-iodo-3,4-dimethoxy-benzene 
• 5417-17-4 2-chloro-3,4-dimethoxybenzaldehyde 
• 352437-41-3 (2-chloro-3,4-dimethoxyphenyl)-N-[(4,5-dimethylimidazol-2-yl)methyl]-N-(3-methylbutyl)carboxamide 
• 1002965-86-7 3,4-dimethoxy-N-phenethylanthranilic acid 
• 1067191-48-3 2-chloro-N-[4-(cyano-dimethyl-methyl)-phenyl]-3,4-dimethoxy-benzamide 
• 209204-23-9 2-chloro-3,4-dimethoxybenzoyl chloride 
• 1225209-21-1 2-chloro-3,4-bis((4-methoxybenzyl)oxy)-N-(quinuclidin-4-ylmethyl)benzamide 
• 1225208-44-5 2-chloro-3,4-bis((4-methoxybenzyl)oxy)-N-(2-(pyrrolidin-1-yl)ethyl)benzamide 
• 1225209-76-6 (2-chloro-3,4-bis((4-methoxybenzyl)oxy)phenyl) (3,4-dihydro-1,5-naphthyridin-1(2H)-yl)methanone 
• 1225209-82-4 C₃₁H₂₈ClN₃O₅ 
• 1225209-94-8 C₃₂H₃₇ClN₂O₅ 
• 1225209-99-3 (S)-2-chloro-3,4-bis((4-methoxybenzyl)oxy)-N-(1-(pyrrolidin-1-yl)propan-2-yl)benzamide 
• 1225210-08-1 C₃₂H₃₁ClN₂O₅ 

Relevant articles and documents

SUBSTITUTED BENZAMIDES AS MODULATORS OF TREX1

Provided are compounds of Formula (I): (I) and pharmaceutically acceptable salts and compositions thereof, which are useful for treating a variety of conditions associated with TREX1.

Competition of substituents for ortho direction of metalation of veratric acid

LTMP (5 equiv) metalates randomly veratric acid (1). Under external quench conditions, the thermodynamically more stable lithium 2-lithio-3,4-dimethoxybenzoate (2) reacts with a variety of electrophiles to give versatile building units that are not easily accessible by conventional means. Under in situ quench conditions (LTMP/TMSCl), a reversal of regioselectivity is observed and 6-trimethylsilyl-3,4-dimethoxybenzoic acid (10) is formed predominantly.