7499-07-2

Basic information

• Product Name: 4-CHLORO-2-METHYLBENZOIC ACID
• Synonyms: RARECHEM AL BO 0472;2-METHYL-4-CHLOROBENZOIC ACID;4-CHLORO-O-TOLUIC ACID;4-CHLORO-2-METHYLBENZOIC ACID;2-Carboxy-5-chlorotoluene, 4-Chloro-o-toluic acid;4-Chloro-2-Methylbenzoic Acid, 97+%;4-Chloro-2-methylbenzoicacid,98%;Benzoic acid,4-chloro-2-methyl-
• CAS NO: 7499-07-2
• Molecular Formula: C₈H₇ClO₂
• Molecular Weight: 170.59
• Product Categories: Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts;Benzene series;Benzoic acid;C8;Carbonyl Compounds;Carboxylic Acids
• Mol File: 7499-07-2.mol
• Article Data: 16

Chemical Properties

• Melting Point: 167-171 °C(lit.)
• Boiling Point: 300.3 °C at 760 mmHg
• Flash Point: 135.4 °C
• Appearance: /
• Density: 1.31 g/cm³
• Vapor Pressure: 0.000504mmHg at 25°C
• Refractive Index: 1.573
• Storage Temp.: Inert atmosphere,Room Temperature
• Solubility: DMSO (Slightly), Methanol (Slightly)
• PKA: 3.63±0.25(Predicted)
• CAS DataBase Reference: 4-CHLORO-2-METHYLBENZOIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 4-CHLORO-2-METHYLBENZOIC ACID(7499-07-2)
• EPA Substance Registry System: 4-CHLORO-2-METHYLBENZOIC ACID(7499-07-2)

Safety Data

• Hazard Codes: Xn,Xi
• Statements: 22-41
• Safety Statements: 26-37/39
• WGK Germany: 3
• HazardClass: IRRITANT
• Hazardous Substances Data: 7499-07-2(Hazardous Substances Data)

Usage

Description

4-Chloro-2-methylbenzoic acid is an organic compound with the molecular formula C8H7ClO2. It is a derivative of benzoic acid, featuring a chlorine atom at the 4th position and a methyl group at the 2nd position on the benzene ring. 4-CHLORO-2-METHYLBENZOIC ACID can be synthesized from 4-chlorobenzoic acid through a multi-step reaction process.

Uses

Used in Chemical Synthesis:
4-Chloro-2-methylbenzoic acid is used as a key intermediate in the synthesis of various organic compounds, including:
1. 4-chloro-2-methylbenzophenone: 4-CHLORO-2-METHYLBENZOIC ACID is synthesized via Friedel-Crafts acylation with benzene, which is a versatile method for the formation of carbon-carbon bonds in organic chemistry.
2. 4-chloro-2-methyl-5-(methylsulfonyl)benzoic acid: This derivative can be used in the development of pharmaceuticals and other chemical products.
3. 4-chloro-2-methyl-3-nitrobenzoic acid methyl ester: This ester can be utilized in the synthesis of various organic compounds and may have potential applications in the pharmaceutical or chemical industries.

InChI:InChI=1/C8H7ClO2/c1-5-4-6(9)2-3-7(5)8(10)11/h2-4H,1H3,(H,10,11)

Upstream product

• 50712-68-0 4-chloro-2-methylbenzonitrile 
• 3274-12-2 4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-one 
• 37074-38-7 o-(Methyl)-p-chloroacetophenone 
• 40137-29-9 2-methyl-4-chlorobenzaldehyde 
• 13630-14-3 1-Methyl-1-trichlormethyl-4,4-dichlor-cyclohexadien-(2,5) 
• 25251-56-3 (3-chloro-benzyl)-trimethyl-ammonium; bromide 
• 146516-71-4 2,N-dimethyl-4-chloro-benzanilide 
• 615-60-1 4-chloro-1,2-dimethylbenzene 
• 74-11-3 para-chlorobenzoic acid 
• 74-88-4 methyl iodide 
• 10026-13-8 phosphorus pentachloride 
• 5002-14-2 4-chloro-2-methylbiphenyl 
• 64-19-7 acetic acid 
• 86119-84-8 phosphoric acid 

Downstream Products

• 15393-58-5 4-chloro-2-methyl-benzoic acid ethyl ester 
• 89-20-3 4-chlorophthalic acid 
• 21900-44-7 4-chloro-2-methylbenzoyl chloride 
• 950915-10-3 4-chloro-2-methyl-3-nitro-benzoic acid 
• 476660-41-0 4-chloro-2-methyl-5-nitrobenzoic acid 
• 103440-03-5 3-nitro-(4-chloromethyl) benzoic acid 
• 40319-46-8 3,5-dinitro-4-chloro-o-toluic acid 
• 75870-97-2 4-chloro-2-methylbenzoyl fluoride 
• 129716-11-6 2-methyl-4-chlorobenzyl alcohol 
• 190367-56-7 methyl 4-chloro-2-methyl-5-nitrobenzoate 
• 190367-57-8 4-chloro-2-methyl-3-nitrobenzoic acid methyl ester 
• 102392-17-6 4-Chloro-5-chlorosulfonyl-2-methyl-benzoic acid 
• 58231-16-6 4-chloro-2-ethylbenzoic acid 
• 321-21-1 4-fluoro-2-methylbenzoic acid 

Relevant articles and documents

Catalytic Reductions Without External Hydrogen Gas: Broad Scope Hydrogenations with Tetrahydroxydiboron and a Tertiary Amine

Facile reduction of aryl halides with a combination of 5% Pd/C, B2(OH)4, and 4-methylmorpholine is reported. Aryl bromides, iodides, and chlorides were efficiently reduced. Aryl dihalides containing two different halogen atoms underwent selective reduction: I over Br and Cl, and Br over Cl. Beyond these, aryl triflates were efficiently reduced. This combination was broadly general, effectuating reductions of benzylic halides and ethers, alkenes, alkynes, aldehydes, and azides, as well as for N-Cbz deprotection. A cyano group was unaffected, but a nitro group and a ketone underwent reduction to a low extent. When B2(OD)4 was used for aryl halide reduction, a significant amount of deuteriation occurred. However, H atom incorporation competed and increased in slower reactions. 4-Methylmorpholine was identified as a possible source of H atoms in this, but a combination of only 4-methylmorpholine and Pd/C did not result in reduction. Hydrogen gas has been observed to form with this reagent combination. Experiments aimed at understanding the chemistry led to the proposal of a plausible mechanism and to the identification of N,N-bis(methyl-d3)pyridin-4-amine (DMAP-d6) and B2(OD)4 as an effective combination for full aromatic deuteriation. (Figure presented.).

Synthetic method of 1-(4-iodophenyl)-5-chlorinisobenzofuran

The invention relates to a synthetic method of a compound, in particular to a synthetic method of 1-(4-iodophenyl)-5-chlorinisobenzofuran.By means of the method, the 1-(4-iodophenyl)-5-chlorinisobenzofuran is obtained through a series of reactions of oxidation, condensation and the like.The method is mild in reaction condition and high in yield.

Doxepin analogs and methods of use thereof

The invention relates to novel antihistamines and methods of modulating sleep by administering a doxepin analog or a pharmaceutically effective salt thereof.