| Identification | Back Directory | [Name]
4-KETO-4,5,6,7-TETRAHYDROTHIANAPHTHENE | [CAS]
13414-95-4 | [Synonyms]
AKOS 92215
2H-thiochroMene
AKOS BBS-00000945
RARECHEM AK MA K003
6,7-Dihydrobenzothiophen-4-one
6,7-DIHYDRO-4-BENZO(B)THIOPHENE
4-Oxotetrahydrobenzo(b)thiophene
TETRAHYDROBENZO(B)THIOPHEN-4-ONE
6,7-DIHYDROBENZO[B]THIOPHEN-4-ONE
6,7-DIHYDRO-4-BENZO[B]THIOPHENONE
6,7-DIHYDROBENZO[B]THIOPHEN-4(5H)-ONE
4-OXO-4,5,6,7-TETRAHYDROTHIANAPHTHENE
6,7-Dihydro-1-benzothiophen-4(5H)-one
6,7-Dihydro-5H-benzo[b]thiophen-4-one
4-Keto-4,5,6,7-tetrahydrothlanaphthene
4-KETO-4,5,6,7-TETRAHYDROTHIANAPHTHENE
6,7-DIHYDROBENZO(B)THIOPHENE-4(5H)-ONE
4-Keto-4,5,6,7-tetrahydrothianaphthalene
4,5,6,7-tetrahydro-1-benzothiophen-4-one
Benzo[b]thiophen-4(5H)-one, 6,7-dihydro-
4-OXO-4,5,6,7-TETRAHYDROBENZO[B]THIOPHENE
4,5,6,7-Tetrahydrobenzo[b]thiophene-4-one
4-Keto-4,5,6,7-tetrahydrothianaphthene,97%
4-Keto-4,5,6,7-tetrahydrothianaphthene, GC 97%
4-Keto-4,5,6,7-tetrahydrothianaphthene, 4-Oxo-4,5,6,7-tetrahydrobenzo[b]thiophene, 4-Oxo-4,5,6,7-tetrahydrothianaphthene | [EINECS(EC#)]
236-510-7 | [Molecular Formula]
C8H8OS | [MDL Number]
MFCD00005861 | [MOL File]
13414-95-4.mol | [Molecular Weight]
152.21 |
| Chemical Properties | Back Directory | [Appearance]
white to yellow low melting solid or liquid after | [Melting point ]
38-40 °C(lit.)
| [Boiling point ]
120 °C (10 mmHg)
| [density ]
1.245±0.06 g/cm3(Predicted) | [refractive index ]
1.5895-1.5915
| [Fp ]
>230 °F
| [storage temp. ]
Keep in dark place,Sealed in dry,Room Temperature | [solubility ]
Soluble in chloroform. | [form ]
Low Melting Solid or Liquid After Melting | [color ]
White to yellow | [BRN ]
112276 | [InChI]
InChI=1S/C8H8OS/c9-7-2-1-3-8-6(7)4-5-10-8/h4-5H,1-3H2 | [InChIKey]
GJEKNELSXNSYAQ-UHFFFAOYSA-N | [SMILES]
S1C2=C(C(=O)CCC2)C=C1 | [EPA Substance Registry System]
Benzo[b]thiophen-4(5H)-one, 6,7-dihydro- (13414-95-4) |
| Hazard Information | Back Directory | [Chemical Properties]
white to yellow low melting solid or liquid after | [Uses]
It is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuffs and is also used in medicine. | [Synthesis Reference(s)]
Journal of Heterocyclic Chemistry, 17, p. 87, 1980 DOI: 10.1002/jhet.5570170118 | [Synthesis]
General procedure: 4-(2-Thienyl)butyric acid (0.75 mmol, 1.0 eq.), trifluoroacetic anhydride (TFAA, 2.25 mmol, 3 eq.), and trifluoroacetic acid (TFA, 0.8 mL) were added to a 10 mL glass reaction vial equipped with a screw cap. The reaction mixture was stirred at room temperature for 12 h. The reaction process was monitored by thin layer chromatography (TLC) or gas chromatography-mass spectrometry (GC-MS). Upon completion of the reaction, the solvent was removed under reduced pressure and the resulting residue was purified by silica gel fast column chromatography (eluent: hexane/ethyl acetate mixed system) to finally obtain the target product 6,7-dihydro-4-keto-5-benzothiophene (6a). | [References]
[1] Tetrahedron Letters, 2018, vol. 59, # 10, p. 869 - 872
[2] Tetrahedron Letters, 2003, vol. 44, # 21, p. 4007 - 4010
[3] Heterocycles, 1996, vol. 43, # 1, p. 127 - 131
[4] Patent: WO2010/76188, 2010, A1. Location in patent: Page/Page column 17-19
[5] Patent: WO2005/77932, 2005, A2. Location in patent: Page/Page column 208 |
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