13888-03-4

Basic information

• Product Name: 4-CHLORO-2-METHYLBUTYRIC ACID METHYL ESTER
• Synonyms: METHYL 4-CHLORO-2-METHYLBUTYRATE;4-CHLORO-2-METHYLBUTYRIC ACID METHYL ESTER;Chloromethylbutyricacidmethylester;4-CHLORO-2-METHYLBUTYRIC ACID METHYL ESTER 98+%;Methyl 4-chloro-2-methylbutanoate
• CAS NO: 13888-03-4
• Molecular Formula: C₆H₁₁ClO₂
• Molecular Weight: 150.6
• Mol File: 13888-03-4.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 81 °C / 23.3mmHg
• Appearance: /
• Density: 1,08 g/cm3
• Refractive Index: 1.4320-1.4340
• CAS DataBase Reference: 4-CHLORO-2-METHYLBUTYRIC ACID METHYL ESTER(CAS DataBase Reference)
• NIST Chemistry Reference: 4-CHLORO-2-METHYLBUTYRIC ACID METHYL ESTER(13888-03-4)
• EPA Substance Registry System: 4-CHLORO-2-METHYLBUTYRIC ACID METHYL ESTER(13888-03-4)

Safety Data

• Safety Statements: 23-24/25
• Hazardous Substances Data: 13888-03-4(Hazardous Substances Data)

Usage

General Description

4-CHLORO-2-METHYLBUTYRIC ACID METHYL ESTER is a chemical compound with a molecular formula C6H11ClO2. It is also known as Methyl 4-chloro-2-methylbutyrate. It is a colorless liquid with a fruity odor and is commonly used as an intermediate in the synthesis of pharmaceuticals and agrochemicals. It is a potential irritant to the skin, eyes, and respiratory tract and should be handled with care. This chemical is used in various industries such as pharmaceuticals, agrochemicals, and fragrance and flavor.

Upstream product

• 67-56-1 methanol 
• 6940-78-9 4-chlorobutyl bromide 
• 201230-82-2 carbon monoxide 
• 1679-47-6 3-methyltetrahydro-2-furanone 
• 868-57-5 methyl 2-methylbutanoate 
• 86659-57-6 2-methylbutanoyl fluoride 
• 5856-79-1 iso-butyl chloroformate 

Downstream Products

• 913613-90-8 2-methyl-4-(2-oxo-1,2,3,4-tetrahydroquinolin-7-yloxy)butyric acid methyl ester 
• 1354910-45-4 C₁₉H₂₄N₂O₄ 
• 1236765-46-0 Methyl 2-methyl-4-({4-oxo-3-[4-(2,2,2-trifluoroethoxy)phenyl]-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl}sulfanyl)butanoate 
• 2731-01-3 (±)-5-methoxy-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydropyrrolo-[2,3-b]indole 
• 46479-70-3 (+/-)-5-methoxy-3a,8-dimethyl-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indole 
• 4089-16-1 1,2,3,3a,8,8a-hexahydro-3a,8-dimethylpyrrolo[2,3-b]indole 
• 1001666-08-5 C₂₉H₃₁ClN₄O₅ 

Relevant articles and documents

Cobalt-catalyzed photolytic methoxycarbonylation of bromoalkanes in the presence of a Lewis acid

Addition of a water-stable Lewis acid, indium trichloride, improved the rate of photochemical methoxycarbonylation of bromoalkanes. Primary and secondary bromoalkanes were carbonylated in good yields. Carbonylation of tertiary substrates was somewhat more difficult and some of them reacted too slowly for the reaction to be of a preparative value.

Free Radical Substitution. Part 38. The Effect of Solvent on the Atomic Chlorination and Bromination of 2-Substituted Butanes and the Importance of Steric Effects

The relative selectivity of atomic halogenation of 2-substituted butanes is influenced by the phase and by solvents.There are solvents which increase the selectivity compared with the gas phase and solvents which decrease the relative selectivity.However the most striking feature of the halogenation (especially the bromination) of 2-substituted butanes is the high reactivity of the 2-position notwithstanding very unfavourable polar effects.This reactivity is attributed to the release of steric compression associated with the abstraction of the tertiary hydrogen atom.The halogenation of butan-2-ol esters is associated with some decomposition of 2-butyl radical (OCOR)CH3> and the chlorination of 2-phenylbutane with the formation of olefins 2-phenylbut -1-ene and 2-phenylbut-2-ene.