CAS 101558-05-8

1-(1,3-Benzodioxol-5-yl)-1-hexanone

Description:

1-(1,3-Benzodioxol-5-yl)-1-hexanone, also known as a synthetic compound, features a benzodioxole moiety, which is a bicyclic structure containing two fused aromatic rings and two ether linkages. This compound is characterized by its hexanone functional group, indicating the presence of a ketone (carbonyl group) attached to a six-carbon alkyl chain. The presence of the benzodioxole structure often imparts unique chemical properties, including potential biological activity, making it of interest in various fields such as medicinal chemistry and organic synthesis. The compound is typically a colorless to pale yellow liquid or solid, depending on its purity and specific conditions. Its solubility can vary, often being soluble in organic solvents but less so in water. Safety data sheets would indicate that it should be handled with care, as with many organic compounds, due to potential health hazards. Overall, this compound exemplifies the diverse chemistry associated with ketones and aromatic compounds, contributing to its utility in research and development.

Formula: C₁₃H₁₆O₃

InChI: InChI=1S/C13H16O3/c1-2-3-4-5-11(14)10-6-7-12-13(8-10)16-9-15-12/h6-8H,2-5,9H2,1H3

InChI key: InChIKey=PCYIIHKPPDXSIE-UHFFFAOYSA-N

SMILES: C(CCCCC)(=O)C=1C=C2C(=CC1)OCO2

Synonyms:

• 1-Hexanone, 1-(1,3-benzodioxol-5-yl)-
• 1-(1,3-Benzodioxol-5-yl)-1-hexanone

1-(1,3-Benzodioxol-5-yl)-1-hexanone

Controlled Product

CAS: 101558-05-8

Applications 1-(1,3-Benzodioxol-5-yl)-1-hexanone is an intermediate used in the synthesis of 1-(1,3-benzodioxol-5-yl)-2-(1-pyrrolidinyl)-1-Hexanone (B207110), which is also known as MDPHP, is a synthetic cathinone.
References Fowble, K. L.; et al.: Talanta, 179, 546 (2018).

Formula: C₁₃H₁₆O₃

Color and Shape: Neat

Molecular weight: 220.264

Ref: TR-B115000