ChemicalBook--->CAS DataBase List--->6948-34-1

6948-34-1

6948-34-1 Structure

6948-34-1 Structure
IdentificationBack Directory
[Name]

6-METHYLBENZOTHIOPYRAN-4(4H)-ONE
[CAS]

6948-34-1
[Synonyms]

Einecs 230-114-8
6-METHYLTHIOCHROMANONE
6-METHYLTHIOCHROMAN-4-ONE
6-methyl-4H-thiochromen-4-one
6-METHYLBENZOTHIOPRAN-4(4H)-ONE
6-METHYLBENZOTHIOPYRAN-4(4H)-ONE
6-methyl-2,3-dihydrothiochromen-4-one
2,3-dihydro-6-methyl-4H-1-benzothiopyran-4-one
3,4-Dihydro-6-methyl-2H-1-benzothiopyran-4-one
[EINECS(EC#)]

230-114-8
[Molecular Formula]

C10H10OS
[MDL Number]

MFCD00089270
[MOL File]

6948-34-1.mol
[Molecular Weight]

178.25
Chemical PropertiesBack Directory
[Melting point ]

41-45 °C(lit.)
[Boiling point ]

174 °C(Press: 10 Torr)
[density ]

1.200±0.06 g/cm3(Predicted)
[Fp ]

110 °C
[storage temp. ]

Sealed in dry,Room Temperature
[Appearance]

Light yellow to orange Solid
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H319
[Precautionary statements ]

P305+P351+P338
[Safety Statements ]

22-24/25
[WGK Germany ]

3
[HS Code ]

2934999090
Spectrum DetailBack Directory
[Spectrum Detail]

6-METHYLBENZOTHIOPYRAN-4(4H)-ONE(6948-34-1)1HNMR
Hazard InformationBack Directory
[Synthesis]

3-((4-METHYLPHENYL)THIO)PROPIONIC ACID

13739-35-0

6-METHYLBENZOTHIOPYRAN-4(4H)-ONE

6948-34-1

General procedure for the synthesis of 6-methylthiobenzodihydropyran-4-one from 3-[(4-methylphenyl)thio]propionic acid: 20 g (0.1 mol) of 3-[(4-methylphenyl)thio]propionic acid was dissolved in a 1000 ml beaker containing 70 ml of concentrated sulphuric acid, and the reaction was carried out for 12 h at room temperature. Upon completion of the reaction, the reaction mixture was cooled in an ice-water bath to precipitate a large amount of yellow solid precipitate, which was subsequently filtered. The filter cake was washed sequentially with 5% sodium bicarbonate solution and distilled water until neutral. The crude product was purified by recrystallization from 50% ethanol solution to give 16.88 g of light yellow solid 6-methylthiobenzodihydropyran-4-one in 93% yield.

[References]

[1] Letters in Organic Chemistry, 2016, vol. 13, # 3, p. 206 - 216
[2] Journal of Chemical Research, 2004, # 6, p. 394 - 395
[3] Bioorganic and Medicinal Chemistry, 2009, vol. 17, # 13, p. 4569 - 4574
[4] Chinese Journal of Chemistry, 2011, vol. 29, # 4, p. 757 - 764
[5] Chemische Berichte, 1923, vol. 56, p. 1275
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