ChemicalBook > CAS DataBase List > 4-KETO-4,5,6,7-TETRAHYDROTHIANAPHTHENE

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
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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)
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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
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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..…

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N-Bromosuccinimide Price

Sigma-Aldrich
Product number
K3603
Product name
6,7-Dihydro-4-benzo[b]thiophenone
Purity
98%
Packaging
1g
Price
$40
Updated
2023/01/07
Sigma-Aldrich
Product number
K3603
Product name
6,7-Dihydro-4-benzo[b]thiophenone
Purity
98%
Packaging
10g
Price
$380
Updated
2023/01/07
TCI Chemical
Product number
D5714
Product name
6,7-Dihydro-4-benzo[b]thiophenone
Packaging
1G
Price
$38
Updated
2025/07/31
TCI Chemical
Product number
D5714
Product name
6,7-Dihydro-4-benzo[b]thiophenone
Packaging
5G
Price
$127
Updated
2025/07/31
TRC
Product number
D448325
Product name
6,7-Dihydrobenzo[b]thiophen-4-one
Packaging
5g
Price
$155
Updated
2021/12/16
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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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4-KETO-4,5,6,7-TETRAHYDROTHIANAPHTHENE Suppliers

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View Lastest Price from 4-KETO-4,5,6,7-TETRAHYDROTHIANAPHTHENE manufacturers

Career Henan Chemical Co
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

13414-95-4, 4-KETO-4,5,6,7-TETRAHYDROTHIANAPHTHENERelated Search:

2-AMINO-6-METHYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBONITRILE 4-KETO-4,5,6,7-TETRAHYDROTHIANAPHTHENE 2-AMINO-6-METHYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE 2-PENTYL-6,7-DIHYDRO-5H-BENZO[B]THIOPHEN-4-ONE Tipentosin AKOS 91475 AKOS 91482 AKOS 91460 AKOS 91474 RARECHEM AK MA K052 AKOS 91481 AKOS 91178 5-AMINO-6,7-DIHYDRO-5H-BENZO[B]THIOPHEN-4-ONE SPECS AP-836/41220430 AKOS 91417 AKOS 91236 AKOS 91181 5,5-Dibromo-6,7-dihydro5H-benzo[b]thiophen-4-one

  • 4-OXO-4,5,6,7-TETRAHYDROBENZO[B]THIOPHENE
  • 4-OXO-4,5,6,7-TETRAHYDROTHIANAPHTHENE
  • 4-KETO-4,5,6,7-TETRAHYDROTHIANAPHTHENE
  • RARECHEM AK MA K003
  • 4-Oxotetrahydrobenzo(b)thiophene
  • 4-Keto-4,5,6,7-tetrahydrothianaphthalene
  • 4-Keto-4,5,6,7-tetrahydrothianaphthene, GC 97%
  • TETRAHYDROBENZO(B)THIOPHEN-4-ONE
  • 6,7-DIHYDROBENZO[B]THIOPHEN-4-ONE
  • 4-Keto-4,5,6,7-tetrahydrothianaphthene, 4-Oxo-4,5,6,7-tetrahydrobenzo[b]thiophene, 4-Oxo-4,5,6,7-tetrahydrothianaphthene
  • 4,5,6,7-Tetrahydrobenzo[b]thiophene-4-one
  • 4-Keto-4,5,6,7-tetrahydrothianaphthene,97%
  • 6,7-Dihydrobenzothiophen-4-one
  • 6,7-Dihydro-5H-benzo[b]thiophen-4-one
  • 2H-thiochroMene
  • 4,5,6,7-tetrahydro-1-benzothiophen-4-one
  • 6,7-Dihydro-1-benzothiophen-4(5H)-one
  • 4-Keto-4,5,6,7-tetrahydrothlanaphthene
  • Benzo[b]thiophen-4(5H)-one, 6,7-dihydro-
  • AKOS 92215
  • AKOS BBS-00000945
  • 6,7-DIHYDRO-4-BENZO(B)THIOPHENE
  • 6,7-DIHYDRO-4-BENZO[B]THIOPHENONE
  • 6,7-DIHYDROBENZO[B]THIOPHEN-4(5H)-ONE
  • 6,7-DIHYDROBENZO(B)THIOPHENE-4(5H)-ONE
  • 4-KETO-4,5,6,7-TETRAHYDROTHIANAPHTHEN
  • 4-KETO-4,5,6,7-TETRAHYDROTHIANAPHTHENE ISO 9001：2015 REACH
  • 4,5,6,7-Tetrahydro-4-oxo-benzo[b]thiophene
  • 6,7-dihydro-5H-1-benzothiophen-4-one
  • 6,7-Dihydro-4-benzo[<i>b</i>]thiophenone
  • 13414-95-4
  • Building Blocks
  • Benzothiophenes
  • Heterocyclic Building Blocks
  • Heterocyclic Compounds