6613-44-1

Basic information

• Product Name: 3,5-Dimethylbenzoyl chloride
• Synonyms: 3,5-dimethyl-benzoylchlorid;Benzoylchloride,3,5-dimethyl-;3,5-DIMETHYLBENZOYL CHLORIDE;3,5-DimethylbenzoicChloride;Benzoyl chloride, 3,5-dimethyl- (6CI,7CI,8CI,9CI);3,5-Dimethylbenzoyl;m-xylene-5-carbonyl chloride;3,5-Dimethylbenzoic acid chloride
• CAS NO: 6613-44-1
• Molecular Formula: C₉H₉ClO
• Molecular Weight: 168.62
• EINECS: 413-010-9
• Product Categories: ACIDHALIDE
• Mol File: 6613-44-1.mol
• Article Data: 68

Chemical Properties

• Boiling Point: 127 °C / 20mmHg
• Flash Point: 108.8 °C
• Appearance: achromatic lolor or fair yellow liquid
• Density: 1.14
• Vapor Pressure: 0.0207mmHg at 25°C
• Refractive Index: 1.5440-1.5480
• CAS DataBase Reference: 3,5-Dimethylbenzoyl chloride(CAS DataBase Reference)
• NIST Chemistry Reference: 3,5-Dimethylbenzoyl chloride(6613-44-1)
• EPA Substance Registry System: 3,5-Dimethylbenzoyl chloride(6613-44-1)

Safety Data

• Hazard Codes: C
• Statements: 34-43
• Safety Statements: 26-36/37/39-45
• RIDADR: 3265
• RTECS: DM6636900
• HazardClass: 8
• PackingGroup: III
• Hazardous Substances Data: 6613-44-1(Hazardous Substances Data)

Usage

General Description

3,5-Dimethylbenzoyl chloride, also known as 3,5-Dimethylbenzoyl chloride, is a chemical compound with the molecular formula C9H9ClO. It is a colorless to light yellow liquid with a pungent odor, and is commonly used as a reagent in organic synthesis to introduce the benzoyl group into various substrates. 3,5-Dimethylbenzoyl chloride is highly reactive and can act as an acylating agent, reacting with a variety of nucleophiles. It is also used in the synthesis of pharmaceuticals, agrochemicals, and dyes. However, it is also important to note that 3,5-Dimethylbenzoyl chloride is highly corrosive and can cause severe burns and eye damage upon contact, so precautions must be taken when handling and using this chemical.

InChI:InChI=1/C9H9ClO/c1-6-3-7(2)5-8(4-6)9(10)11/h3-5H,1-2H3

Upstream product

• 556-96-7 5-bromo-1,3-xylene 
• 141-75-3 butyryl chloride 
• 22445-41-6 3,5-dimethylphenyl iodide 
• 100-20-9 terephthaloyl chloride 
• 122-04-3 4-nitro-benzoyl chloride 
• 5779-95-3 3,5-dimethylbenzaldehyde 
• 499-06-9 3,5-dimethylbenzoic acid 

Downstream Products

• 47777-01-5 C₃₀H₃₃NO₅ 
• 36586-35-3 3,5-Dimethyl-benzoic acid N'-(3,4-dichloro-phenyl)-hydrazide 
• 38524-05-9 3-Chloro-2-(3,5-dimethyl-benzoylamino)-propionic acid methyl ester 
• 125094-56-6 2-(3,5-Dimethyl-benzoyl)-2,3,4,9-tetrahydro-1H-β-carboline-3-carboxylic acid methyl ester 
• 55142-57-9 [3-(4-Fluoro-benzoyl)-5-methyl-phenyl]-acetic acid 
• 55142-54-6 (3-Benzoyl-5-methyl-phenyl)-acetic acid 
• 169546-53-6 (R)-3-Biphenyl-4-yl-2-[(3,5-dimethyl-benzoyl)-methyl-amino]-propionic acid methyl ester 

Relevant articles and documents

Multicomponent Synthesis, Binding Mode, and Structure-Activity Relationship of Selective Histone Deacetylase 6 (HDAC6) Inhibitors with Bifurcated Capping Groups

Histone deacetylase 6 (HDAC6) is an emerging target for the treatment of cancer, neurodegenerative diseases, inflammation, and other diseases. Here, we present the multicomponent synthesis and structure-activity relationship of a series of tetrazole-based

Synthesis and anti-rheumatoid arthritis activities of 3-(4-aminophenyl)-coumarin derivatives

Rheumatoid arthritis is a chronic systemic disease characterised by an unknown aetiology of inflammatory synovitis. A large number of studies have shown that synoviocytes show tumour-like dysplasia in the pathological process of RA, and the changes in the expression of related cytokines are closely related to the pathogenesis of RA. In this thesis, a series of novel 3-(4-aminophenyl) coumarins containing different substituents were synthesised to find new coumarin anti-inflammatory drugs for the treatment of rheumatoid arthritis. The results of preliminary activity screening showed that compound 5e had the strongest inhibitory activity on the proliferation of fibroid synovial cells, and it also had inhibitory effect on RA-related cytokines IL-1, IL-6, and TNF-α. The preliminary mechanism study showed that compound 5e could inhibit the activation of NF-κB and MAPKs signal pathway. The anti-inflammatory activity of compound 5ein?vivo was further determined in the rat joint inflammation model.

Green preparation process of 2-methyl-3-methoxybenzoyl chloride

The invention discloses a green preparation process of 2-methyl-3-methoxybenzoyl chloride. The green preparation process comprises the following steps: heating and hydrolyzing methyl 2-methyl-3-methoxybenzoate in an alkaline aqueous solution, and distilling off generated methanol while a hydrolysis reaction is carried out; adding an organic solvent into hydrolyzed reaction liquid under the condition of heat preservation for dissolving, and adding an acidic aqueous solution for neutralizing; conducting neutralizing, then preserving heat and conducting layering to obtain a water layer and an organic layer, and washing the organic layer with water; heating the washed organic layer for azeotropic water removal; and adding a catalyst into the organic layer after azeotropic dehydration, carrying out heating, dropwise adding an acylating chlorination reagent, and carrying out a heat-preserved reaction to obtain the 2-methyl-3-methoxybenzoyl chloride. In a neutralization process after hydrolysis is completed, the organic solvent is added, and the product 2-methyl-3-methoxybenzoic acid is transferred into the organic solvent and is transferred to a subsequent reaction in a solution state, so water consumption for post-treatment is reduced, and meanwhile, harm to a working environment and the health of workers in the solid dust drying and feeding process is avoided.