99585-13-4

Basic information

• Product Name: 5-CHLORO-2-METHYL-BENZOIC ACID METHYL ESTER
• Synonyms: 5-CHLORO-2-METHYL-BENZOIC ACID METHYL ESTER;Methyl 5-Chloro-2-Methylbenzoate;methyl 2-methyl-5-chlorobenzoate
• CAS NO: 99585-13-4
• Molecular Formula: C₉H₉ClO₂
• Molecular Weight: 184.62
• Mol File: 99585-13-4.mol
• Article Data: 10

Chemical Properties

• Boiling Point: 245.6±20.0 °C(Predicted)
• Appearance: /
• Density: 1.186±0.06 g/cm3(Predicted)
• Storage Temp.: Sealed in dry,Room Temperature
• CAS DataBase Reference: 5-CHLORO-2-METHYL-BENZOIC ACID METHYL ESTER(CAS DataBase Reference)
• NIST Chemistry Reference: 5-CHLORO-2-METHYL-BENZOIC ACID METHYL ESTER(99585-13-4)
• EPA Substance Registry System: 5-CHLORO-2-METHYL-BENZOIC ACID METHYL ESTER(99585-13-4)

Safety Data

• Hazardous Substances Data: 99585-13-4(Hazardous Substances Data)

Usage

General Description

5-CHLORO-2-METHYL-BENZOIC ACID METHYL ESTER is a compound with the chemical formula C9H9ClO2. It is a methyl ester of 5-chloro-2-methylbenzoic acid, which is a derivative of benzoic acid. This chemical is commonly used as an intermediate in the synthesis of pharmaceuticals and agrochemicals. It is a white to off-white crystalline solid with a melting point of 124-127°C. Its main applications include its use as a building block in the synthesis of various pharmaceutical and agrochemical compounds. Additionally, it is also used as a key component in the manufacturing of fragrances and flavorings.

Upstream product

• 67-56-1 methanol 
• 201230-82-2 carbon monoxide 
• 95-73-8 2,4-dichlorotoluene 
• 2905-69-3 methyl 2,5-dichlorobenzoate 
• 75-16-1 methylmagnesium bromide 
• 7499-06-1 5-chloro-2-methylbenzoic acid 
• 74-88-4 methyl iodide 
• 118-90-1 ortho-methylbenzoic acid 

Downstream Products

• 1403679-89-9 2-(5-chloro-2-methyl-phenyl)-1H-pyrrole-3-carbonitrile 
• 1040721-01-4 N-[5-(5-chloro-2-methylphenyl)-2H-pyrazol-3-yl]-4-piperidin-1-ylbutyramide formate salt 
• 1608129-75-4 5-amino-3-(5-chloro-2-methylphenyl)pyrazole-1-carboxylic acid tert-butyl ester 
• 1608129-79-8 C₁₉H₂₂ClN₃O₄ 
• 1040724-39-7 5-(5-chloro-2-methylphenyl)-2H-pyrazol-3-ylamine 
• 1040720-89-5 N-[5-(5-chloro-2-methylphenyl)-2H-pyrazol-3-yl]-4-pyrrolidin-1-yl-butyramide formate salt 
• 1403679-77-5 2-(5-chloro-2-methyl-phenyl)-5-(pyrimidin-4-yl)-1H-pyrrole-3-carboxamide 
• 1403680-20-5 5-acetyl-2-(5-chloro-2-methyl-phenyl)-1H-pyrrole-3-carbonitrile 
• 1403680-22-7 2-(5-chloro-2-methyl-phenyl)-5-(pyrimidin-4-yl)-1H-pyrrole-3-carbonitrile 
• 1403679-76-4 2-(5-chloro-2-methyl-phenyl)-5-(2-methylamino-pyrimidin-4-yl)-1H-pyrrole-3-carboxamide 
• 1403680-21-6 2-(5-chloro-2-methyl-phenyl)-5-(2-methylamino-pyrimidin-4-yl)-1H-pyrrole-3-carbonitrile 
• 478375-39-2 methyl-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate 
• 89-71-4 2-Methyl-benzoic acid methyl ester 
• 521064-34-6 6-(5-chloro-2-methylphenyl)-N²-(4-bromophenyl)-1,3,5-triazine-2,4-diamine 

Relevant articles and documents

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Cobalt-catalyzed methoxycarbonylation of substituted dichlorobenzenes as an example of a facile radical anion nucleophilic substitution in chloroarenes

A thorough mechanistic study on cobalt-catalysed direct methoxycarbonylation reactions of chlorobenzenes in the presence of methyl oxirane on a wide range of substrates, including poly-and monochloro derivatives with multiple substituents, is reported. The results demonstrate that the reaction is potentially useful as it proceeds under very mild conditions (t = 62 °C, PCO = 1 bar) and converts aryl chlorides to far more valuable products (especially ortho-substituted benzoic acids and esters) in high yields. This transformation also offers another opportunity for the utilization of environmentally harmful polychlorinated benzenes and biphenyls (PCBs). This study is the first to discover an unexpected universal positive ortho-effect: the proximity of any substituent (including Me, Ph, and MeO groups and halogen atoms) to the reaction centre accelerates the methoxycarbonylation in chlorobenzenes. The effect of the ortho-substituents is discussed in detail and explained in terms of a radical anion reaction mechanism. The advantages of the methoxycarbonylation as a model for the mechanistic study of radical anion reactions are also illustrated.

Chemoselective sp 2-sp3 cross-couplings: Iron-catalyzed alkyl transfer to dihaloaromatics

The chemoselective functionalization of a range of dihaloaromatics with methyl, cyclopropyl, and higher alkyl Grignard reagents via iron-catalyzed cross-coupling is described. The site selectivity of C-X (X = halogen) activation is determined by factors such as the position of the halogen on the ring, the solvent, and the nucleophile. A one-pot protocol for the chemoselective synthesis of mixed dialkyl heterocycles is achieved solely employing iron catalysis.