60032-95-3

Basic information

• Product Name: 2-CHLORO-4,5-DIMETHOXYBENZOIC ACID
• Synonyms: 2-CHLORO-4,5-DIMETHOXYBENZOIC ACID
• CAS NO: 60032-95-3
• Molecular Formula: C₉H₉ClO₄
• Molecular Weight: 216.62
• Product Categories: API intermediates
• Mol File: 60032-95-3.mol
• Article Data: 1

Chemical Properties

• Melting Point: 183-185°C
• Boiling Point: 326.9°C at 760 mmHg
• Flash Point: 151.5°C
• Appearance: /
• Density: 1.337g/cm³
• Vapor Pressure: 8.52E-05mmHg at 25°C
• Refractive Index: 1.548
• Storage Temp.: 2-8°C
• PKA: 3.15±0.25(Predicted)
• CAS DataBase Reference: 2-CHLORO-4,5-DIMETHOXYBENZOIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 2-CHLORO-4,5-DIMETHOXYBENZOIC ACID(60032-95-3)
• EPA Substance Registry System: 2-CHLORO-4,5-DIMETHOXYBENZOIC ACID(60032-95-3)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39
• HazardClass: IRRITANT
• Hazardous Substances Data: 60032-95-3(Hazardous Substances Data)

Usage

General Description

2-CHLORO-4,5-DIMETHOXYBENZOIC ACID is a chemical compound with the molecular formula C9H9ClO4. It is a chlorinated derivative of 4,5-dimethoxybenzoic acid and belongs to the class of benzoic acids. 2-CHLORO-4,5-DIMETHOXYBENZOIC ACID is used in the synthesis of pharmaceuticals and agrochemicals as an intermediate. It possesses two methoxy groups and a chlorine atom attached to the benzene ring, which makes it a versatile building block for the development of various organic compounds. Its unique structure and functional groups allow it to participate in various chemical reactions, making it a valuable compound in organic synthesis and medicinal chemistry.

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

Upstream product

• 18093-05-5 6-chloroverataldehyde 
• 120-14-9 3,4-dimethoxy-benzaldehyde 
• 1131-62-0 1-(3,4-dimethoxyphenyl)ethanone 

Downstream Products

• 237384-60-0 2-chloro-4,5-dimethoxybenzoyl chloride 
• 237384-61-1 α-bromo-6-chloroacetoveratrone 
• 1463965-25-4 2-chloro-4,5-dimethoxy-N-(2-(m-tolyloxy)ethyl)benzamide 
• 1067191-52-9 2-chloro-N-[4-(cyano-dimethyl-methyl)-phenyl]-4,5-dimethoxy-benzamide 

Relevant articles and documents

Fine chemicals from lignosulfonates. 2. Synthesis of veratric acid from acetovanillon

An optimisation study based upon experimental data obtained from multivariate statistical experimental design and modelling for the haloform reaction used for synthesis of 3,4-dimethoxybenzoic acid from 3,4-dimethoxy acetophenone is reported. It is shown how the different controllable process variables influence both the yield of 3,4-dimethoxybenzoic acid and the formation of the side product 2-chloro-4,5-dimelhoxybenzoic acid. Two predictive multivariate models are derived and used to predict optimal conditions for the oxidation process. Using these models, a yield of 90% (from approximately 60%) of desired product is achieved. Moreover, the model describing the formation of the side-product can in fact also be applied to optimise a procedure for obtaining 2-chloro-4,5-dimethoxybenzoic acid in substantial quantities. One experiment showed that the side-product could be formed in a quantity of >20%.