CAS 771-17-5

2,3-Dihydro-3-methyl-4H-1-benzothiopyran-4-one

Description:

2,3-Dihydro-3-methyl-4H-1-benzothiopyran-4-one, with the CAS number 771-17-5, is a heterocyclic organic compound characterized by its unique bicyclic structure that incorporates both a benzene ring and a thiopyran moiety. This compound typically appears as a solid or liquid, depending on its purity and specific conditions. It is known for its potential applications in organic synthesis and medicinal chemistry, particularly due to its ability to act as a building block for various biologically active molecules. The presence of the thiopyran ring contributes to its chemical reactivity, allowing for various substitution and functionalization reactions. Additionally, the methyl group at the 3-position can influence its physical properties, such as solubility and boiling point. While specific data on its toxicity and environmental impact may vary, compounds of this class often require careful handling due to potential reactivity. Overall, 2,3-Dihydro-3-methyl-4H-1-benzothiopyran-4-one represents an interesting subject for further research in both synthetic and applied chemistry.

Formula: C₁₀H₁₀OS

InChI: InChI=1S/C10H10OS/c1-7-6-12-9-5-3-2-4-8(9)10(7)11/h2-5,7H,6H2,1H3

InChI key: InChIKey=XCJJYQRFPYKZAU-UHFFFAOYSA-N

SMILES: O=C1C=2C(SCC1C)=CC=CC2

Synonyms:

• 3-Methyl-1-thio-4-chromanone
• 4H-1-Benzothiopyran-4-one, 2,3-dihydro-3-methyl-
• 2,3-Dihydro-3-methyl-4H-1-benzothiopyran-4-one
• 3-Methylthiochroman-4-one
• Thiochroman-4-one, 3-methyl-

3-Methyl-3,4-dihydro-2H-1-benzothiopyran-4-one

CAS: 771-17-5

3-Methyl-3,4-dihydro-2H-1-benzothiopyran-4-one is a pentacyclic compound with a molecular formula of C9H10O2. It has a melting point of 175 °C and a boiling point of 270 °C. 3-methyl-3,4-dihydrobenzo[b]thiopyran-4(3H)-one has been shown to react with dimethyl acetylenedicarboxylate in the presence of pyrrolidine to form an adduct. This adduct can then be converted into an enamine by reacting with dimethyl. The resulting enamine can be reacted with pentacyclic compound to form the title product, which has been shown to have antibiotic activity against gram positive bacteria such as Staphylococcus aureus and Streptococcus pneumoniae.

Formula: C₁₀H₁₀OS

Purity: Min. 95%

Molecular weight: 178.25 g/mol

Ref: 3D-AAA77117