CAS 3153-34-2

Butanoic acid,4-chloro-, 1-methylethyl ester

Description:

Butanoic acid, 4-chloro-, 1-methylethyl ester, also known as 4-chloro-2-methylbutanoate, is an organic compound characterized by its ester functional group derived from butanoic acid and isopropanol. It features a butanoic acid backbone with a chlorine substituent at the fourth carbon position and a methyl group at the first carbon. This compound is typically a colorless to pale yellow liquid with a distinctive odor, indicative of its ester nature. It is soluble in organic solvents but has limited solubility in water due to its hydrophobic characteristics. The presence of the chlorine atom can influence its reactivity, making it a potential candidate for various chemical reactions, including nucleophilic substitutions. Butanoic acid derivatives are often studied for their applications in the synthesis of pharmaceuticals, agrochemicals, and flavoring agents. Safety data should be consulted, as esters can exhibit varying degrees of toxicity and environmental impact. Proper handling and storage conditions are essential to ensure safety when working with this compound.

Formula: C₇H₁₃ClO₂

InChI: InChI=1S/C7H13ClO2/c1-6(2)10-7(9)4-3-5-8/h6H,3-5H2,1-2H3

InChI key: InChIKey=JNUHPPXYHXKRFA-UHFFFAOYSA-N

SMILES: O(C(CCCCl)=O)C(C)C

Synonyms:

• 1-Methylethyl 4-chlorobutanoate
• Butyric acid, 4-chloro-, isopropyl ester
• Butyricacid, 4-chloro-, isopropyl ester (7CI,8CI)
• Isopropyl 4-chlorobutanoate
• Isopropyl 4-chlorobutyrate
• Methylethyl 4-chlorobutanoate

Isopropyl 4-chlorobutanoate

CAS: 3153-34-2

Isopropyl 4-chlorobutanoate

Purity: 98%

Molecular weight: 164.63g/mol

Ref: 54-OR1065644

Vilazodone Impurity 12

CAS: 3153-34-2

Formula: C₇H₁₃ClO₂

Molecular weight: 164.63

Ref: 4Z-V-2119

Isopropyl 4-Chlorobutyrate

Controlled Product

CAS: 3153-34-2

Formula: C₇H₁₃ClO₂

Color and Shape: Neat

Molecular weight: 490.501

Ref: TR-I900680

Isopropyl 4-Chlorobutyrate

CAS: 3153-34-2

Formula: C₇H₁₃ClO₂

Molecular weight: 164.63

Ref: ST-EA-CP-V18028

Isopropyl 4-chlorobutanoate

CAS: 3153-34-2

Isopropyl 4-chlorobutanoate is an enantioselective reagent that can be used in the synthesis of esters. It has been shown to be a useful intermediate for the preparation of cyclopropanes and carboxylic esters. Isopropyl 4-chlorobutanoate can also be used as a solvent in the synthesis of magnesium, titanium, and magnesium chloride. Isopropyl 4-chlorobutanoate is prepared by refluxing isopropanol with chloroacetaldehyde in diethyl ether with a magnesium turnings catalyst at 0°C. This reaction produces racemic butanone and its enantiomer, which is separated by crystallization or chromatography.

Formula: C₇H₁₃ClO₂

Purity: Min. 95%

Molecular weight: 164.63 g/mol

Ref: 3D-FI179605