CAS 4567-33-3

(3S,3aR)-3-butyl-3a,4,5,6-tetrahydro-2-benzofuran-1(3H)-one

Description:

The chemical substance known as (3S,3aR)-3-butyl-3a,4,5,6-tetrahydro-2-benzofuran-1(3H)-one, with the CAS number 4567-33-3, is a bicyclic compound featuring a benzofuran moiety. This compound is characterized by its tetrahydrofuran ring, which contributes to its cyclic structure and potential for various stereochemical configurations, as indicated by its specific stereochemical descriptors (3S,3aR). The presence of a butyl group enhances its hydrophobic characteristics, influencing its solubility and interaction with biological systems. This compound may exhibit interesting pharmacological properties due to its structural features, which can affect its reactivity and biological activity. Additionally, the benzofuran framework is often associated with various biological activities, making this compound of interest in medicinal chemistry. Its synthesis and characterization would typically involve methods such as NMR spectroscopy and mass spectrometry to confirm its structure and purity. Overall, this compound represents a unique structure that could have applications in drug development or as a chemical intermediate.

Formula: C₁₂H₁₈O₂

InChI: InChI=1/C12H18O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h7,9,11H,2-6,8H2,1H3/t9-,11+/m1/s1

InChI key: InChIKey=UPJFTVFLSIQQAV-KOLCDFICSA-N

SMILES: C(CCC)[C@H]1[C@]2(C(C(=O)O1)=CCCC2)[H]

Synonyms:

• (3S,3aR)-(-)-Sedanolide
• (3S,3aR)-3-Butyl-3a,4,5,6-tetrahydro-1(3H)-isobenzofuranone
• 1(3H)-Isobenzofuranone, 3-butyl-3a,4,5,6-tetrahydro-, (3S,3aR)-
• 1(3H)-Isobenzofuranone, 3-butyl-3a,4,5,6-tetrahydro-, (3S-cis)-
• 1(3H)-Isobenzofuranone, 3-butyl-3a,4,5,6-tetrahydro-, cis-(-)-
• Neocnidilide
• Phthalide, 3-butyl-3a,4,5,6-tetrahydro-, stereoisomer
• trans-Sedanolide（ Neocnidilide）

Neocnidilide

CAS: 4567-33-3

Formula: C₁₂H₁₈O₂

Purity: 98%

Molecular weight: 194.2701

Ref: IN-DA00DHMV

Neocnidilide

CAS: 4567-33-3

Neocnidilide

Purity: ≥98%

Molecular weight: 194.27g/mol

Ref: 54-BUP00536

Neocnidilide

CAS: 4567-33-3

Neocnidilide is a fungi-inhibiting and insecticidal alkyl phthalate enhancing skin penetration of benzoic acid; LC50 is 9.9 μmol/mL in D. melanogaster larvae.

Formula: C₁₂H₁₈O₂

Purity: 98.78%

Color and Shape: Solid

Molecular weight: 194.27

Ref: TM-TN1979

Neocnidilide

CAS: 4567-33-3

Neocnidilide is a bioactive compound, typically classified as a fragrance ingredient, which is naturally derived from certain plant sources. It is primarily extracted from plants belonging to the Apiaceae family, known for their array of aromatic compounds. The mode of action of Neocnidilide involves its interaction with olfactory receptors, which may result in various biological activities, including potential antioxidant and anti-inflammatory effects.

Formula: C₁₂H₁₈O₂

Purity: Min. 95%

Molecular weight: 194.27 g/mol

Ref: 3D-EAA56733