4-KETO-4,5,6,7-TETRAHYDROTHIANAPHTHENE
- Product Name
- 4-KETO-4,5,6,7-TETRAHYDROTHIANAPHTHENE
- CAS No.
- 13414-95-4
- Chemical Name
- 4-KETO-4,5,6,7-TETRAHYDROTHIANAPHTHENE
- Synonyms
- 6,7-DIHYDROBENZO[B]THIOPHEN-4(5H)-ONE;AKOS 92215;2H-thiochroMene;AKOS BBS-00000945;RARECHEM AK MA K003;6,7-Dihydrobenzothiophen-4-one;6,7-DIHYDRO-4-BENZO(B)THIOPHENE;TETRAHYDROBENZO(B)THIOPHEN-4-ONE;4-Oxotetrahydrobenzo(b)thiophene;6,7-DIHYDROBENZO[B]THIOPHEN-4-ONE
- CBNumber
- CB4149507
- Molecular Formula
- C8H8OS
- Formula Weight
- 152.21
- MOL File
- 13414-95-4.mol
4-KETO-4,5,6,7-TETRAHYDROTHIANAPHTHENE Property
- 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
- Flash point:
- >230 °F
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- Soluble in chloroform.
- form
- <38°C Solid,>40°C Liquid
- 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)
Safety
- Hazard Codes
- Xn
- Risk Statements
- 22
- Safety Statements
- 22-24/25-36/37/39-26
- WGK Germany
- 3
- TSCA
- Yes
- HazardClass
- IRRITANT
- HS Code
- 29349990
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H302Harmful if swallowed
- Precautionary statements
-
P264Wash hands thoroughly after handling.
P264Wash skin thouroughly after handling.
P270Do not eat, drink or smoke when using this product.
P301+P312IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P330Rinse mouth.
P501Dispose of contents/container to..…
N-Bromosuccinimide Price
- Product number
- K3603
- Product name
- 6,7-Dihydro-4-benzo[b]thiophenone
- Purity
- 98%
- Packaging
- 1g
- Price
- $40
- Updated
- 2023/01/07
- Product number
- K3603
- Product name
- 6,7-Dihydro-4-benzo[b]thiophenone
- Purity
- 98%
- Packaging
- 10g
- Price
- $380
- Updated
- 2023/01/07
- Product number
- D5714
- Product name
- 6,7-Dihydro-4-benzo[b]thiophenone
- Packaging
- 1G
- Price
- $38
- Updated
- 2025/07/31
- Product number
- D5714
- Product name
- 6,7-Dihydro-4-benzo[b]thiophenone
- Packaging
- 5G
- Price
- $127
- Updated
- 2025/07/31
- Product number
- D448325
- Product name
- 6,7-Dihydrobenzo[b]thiophen-4-one
- Packaging
- 5g
- Price
- $155
- Updated
- 2021/12/16
4-KETO-4,5,6,7-TETRAHYDROTHIANAPHTHENE Chemical Properties,Usage,Production
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
4653-11-6
13414-95-4
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
4-KETO-4,5,6,7-TETRAHYDROTHIANAPHTHENE Preparation Products And Raw materials
Raw materials
Preparation Products
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View Lastest Price from 4-KETO-4,5,6,7-TETRAHYDROTHIANAPHTHENE manufacturers
- Product
- 4-KETO-4,5,6,7-TETRAHYDROTHIANAPHTHENE 13414-95-4
- Price
- US $1.00/g
- Min. Order
- 1g
- Purity
- 97%
- Supply Ability
- 100kg
- Release date
- 2020-01-09