109232-37-3

Basic information

• Product Name: Isobutyl 5-chloro-2,2-dimethylvalerate
• Synonyms: 5-Chloro-2,2-dimethylpentanoic acid;2-METHYLPROPYL5-CHLORO-2,2-DIMETHYLPENTANOATE;Pentanoic acid, 5-chloro-2,2-dimethyl-, 2-methylpropyl ester;Isobutyl 5-chloro-2;isobutyl 5-chloro-2,2-diMethylpentanoate;ISOBUTYL 5-CHLORO-2,2-DIMETHYLVALERATE;5-CHLORO-2,2-DIMETHYL-PENTANOIC ACID ISOBUTYL ESTER
• CAS NO: 109232-37-3
• Molecular Formula: C11H21ClO2
• Molecular Weight: 220.74
• EINECS: 1806241-263-5
• Product Categories: Chemical intermediate for Gemfibrozil;INTERMEDIATESOFGEMFIBROIL;(intermediate of gemfibrozil)
• Mol File: 109232-37-3.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 266.4 °C at 760 mmHg
• Flash Point: 115.1 °C
• Appearance: Yellow brown liquid
• Density: 0.979 g/cm³
• Vapor Pressure: 0.00864mmHg at 25°C
• Refractive Index: 1.441
• Storage Temp.: 2-8°C
• CAS DataBase Reference: Isobutyl 5-chloro-2,2-dimethylvalerate(CAS DataBase Reference)
• NIST Chemistry Reference: Isobutyl 5-chloro-2,2-dimethylvalerate(109232-37-3)
• EPA Substance Registry System: Isobutyl 5-chloro-2,2-dimethylvalerate(109232-37-3)

Safety Data

• Hazardous Substances Data: 109232-37-3(Hazardous Substances Data)

Usage

General Description

Isobutyl 5-chloro-2,2-dimethylvalerate is an organic compound that belongs to the class of chemicals known as esters. The name of the compound indicates its structure: it has an isobutyl group (a branched four-carbon group), a 5-chloro-2,2-dimethylvalerate group (a seven-carbon group with two methyl groups, a carboxylate function, and a chlorine atom at the fifth carbon), and the two groups are linked by an ester bond. This chemical is not frequently encountered in literature or industrial applications, thus, specific details regarding its usage, toxicity, or production are not readily available. It's also necessary to handle all chemicals, including Isobutyl 5-chloro-2,2-dimethylvalerate, with care due to potential unknown risks.

InChI:InChI=1/C11H21ClO2/c1-9(2)8-14-10(13)11(3,4)6-5-7-12/h9H,5-8H2,1-4H3

Upstream product

• 97-85-8 isobutyl isobutanoate 
• 109-70-6 1.3-chlorobromopropane 

Downstream Products

• 1225796-29-1 2,2-dimethyl-5-(o-tolyloxy)pentanoic acid 

Relevant articles and documents

Preparation method of 5-chloro-2,2-dimethyl isobutyl valerate

The invention relates to a preparation method of 5-chloro-2,2-dimethyl isobutyl valerate, which comprises the steps of carrying out heat exchange treatment and reaction on a phase A and a phase B, sequentially adding an isobutyl isobutyrate phase C, a 1,3-bromochloropropane phase D and a diluted hydrochloric acid phase E, reacting, quenching in a quenching module, and carrying out after-treatmentto obtain 5-chloro-2,2-dimethyl isobutyl valerate. According to the preparation method, metal lithium is replaced by n-butyllithium, so that the safety risk in the reaction process is reduced; a continuous flow micro-channel reactor is adopted, so that the reaction time is remarkably shortened, and the reaction efficiency is greatly improved; and the purity of the product reaches 97% or above, andthe yield reaches 91% or above.

Preparation method of 5,5-dimethyl-2-cyanocyclopentanone

The invention relates to a preparation method of 5,5-dimethyl-2-cyanocyclopentanone and a preparation method of a related intermediate 2,2-dimethyl-5-(4-chlorobenzyl)cyclopentanone and an application thereof to synthesis of a bactericide metconazole. Cholesteryl iso-butyrate, 1,3-dihalogenated propane, a cyanidation agent, p-chlorobenzyl chloride, and the like are used as main raw materials, multiple steps of reactions are used for preparation and separation, compared with a traditional process, the technique implementation is convenient and yield is high, and the methods have good industrial application prospects.