CAS 69788-75-6

4-Chlorobutyl 3,4-dimethoxybenzoate

Description:

4-Chlorobutyl 3,4-dimethoxybenzoate, with the CAS number 69788-75-6, is an organic compound that belongs to the class of benzoates. It features a benzoate ester functional group, where the benzoate moiety is substituted with two methoxy groups at the 3 and 4 positions, enhancing its solubility and reactivity. The presence of a chlorobutyl group contributes to its potential as a versatile intermediate in organic synthesis. This compound is typically characterized by its moderate to high polarity due to the ester and ether functionalities, which can influence its solubility in various organic solvents. Additionally, it may exhibit biological activity, making it of interest in pharmaceutical and agrochemical research. The molecular structure suggests potential applications in the synthesis of more complex molecules, and its reactivity can be attributed to the electrophilic nature of the benzoate group. Safety data should be consulted for handling, as with many organic compounds, it may pose health and environmental risks.

Formula: C₁₃H₁₇ClO₄

InChI: InChI=1S/C13H17ClO4/c1-16-11-6-5-10(9-12(11)17-2)13(15)18-8-4-3-7-14/h5-6,9H,3-4,7-8H2,1-2H3

InChI key: InChIKey=VDKIZIBOFDIQRW-UHFFFAOYSA-N

SMILES: C(OCCCCCl)(=O)C1=CC(OC)=C(OC)C=C1

Synonyms:

• 4-Chlorobutyl 3,4-dimethoxybenzoate
• Benzoic acid, 3,4-dimethoxy-, 4-chlorobutyl ester
• G4Ovr Co1 Do1
• Veratric acid, 4-chlorobutyl ester
• 4-Chlorobutyl veratrate

4-Chlorobutyl 3,4-dimethoxybenzoate

CAS: 69788-75-6

Formula: C₁₃H₁₇ClO₄

Color and Shape: Liquid

Molecular weight: 272.7247

Ref: IN-DA0066YW

Mebeverine EP Impurity E

CAS: 69788-75-6

Formula: C₁₃H₁₇ClO₄

Molecular weight: 272.73

Ref: 4Z-M-4928

Veratric Acid 4-Chlorobutyl Ester

Controlled Product

CAS: 69788-75-6

Applications Veratric Acid 4-Chlorobutyl Ester is a metabolite of Mebeverine (M202490, HCl); a smooth muscle relaxant and antispasmodic.
References Bertaccini, G., et al.: Farmaco. Ed. Sci., 30, 823 (1975); Robertson, D., et al.: Cardiovasc. Toxicol.,1, 7 (2001); McGovern, S., et al.: J. Med. Chem., 45, 1712 (2002)

Formula: C₁₃H₁₇ClO₄

Color and Shape: Neat

Molecular weight: 272.72

Ref: TR-V127565

Mebeverine EP Impurity E

CAS: 69788-75-6

Formula: C₁₃H₁₇ClO₄

Molecular weight: 272.73

Ref: ST-EA-CP-M78005