CAS 145354-82-1

BENZOIC ACID (S)-4-ACETOXY-[1,3]DIOXOLAN-2-YLMETHYL ESTER

Description:

Benzoic acid (S)-4-acetoxy-[1,3]dioxolan-2-ylmethyl ester, with the CAS number 145354-82-1, is an organic compound characterized by its ester functional group and a dioxolane ring structure. This compound features a benzoic acid moiety, which contributes to its aromatic properties and potential applications in organic synthesis and pharmaceuticals. The presence of the acetoxy group enhances its reactivity, making it a useful intermediate in various chemical reactions. The dioxolane ring provides stability and can influence the compound's solubility and interaction with biological systems. Generally, esters like this one are known for their pleasant odors and are often used in flavoring and fragrance applications. Additionally, the stereochemistry indicated by the (S) configuration suggests specific spatial arrangements of atoms, which can affect the compound's biological activity and interactions. Overall, this compound's unique structural features make it of interest in both synthetic chemistry and potential medicinal applications.

Formula: C13H14O6

InChI: InChI=1S/C13H14O6/c1-9(14)18-12-8-16-11(19-12)7-17-13(15)10-5-3-2-4-6-10/h2-6,11-12H,7-8H2,1H3

InChI key: HZFOOXNVWXVDJP-UHFFFAOYSA-N

SMILES: CC(=O)OC1COC(O1)COC(=O)C2=CC=CC=C2

1,3-Dioxolane-2-methanol, 4-(acetyloxy)-, 2-benzoate

CAS: 145354-82-1

Formula: C₁₃H₁₄O₆

Molecular weight: 266.2467

Ref: IN-DA001KUK