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HomeProduct name listThianaphthene

Thianaphthene

Synonym(s):Benzo[b]thiophene;Benzothiophene;Thionaphthene

  • CAS NO.:95-15-8
  • Empirical Formula: C8H6S
  • Molecular Weight: 134.2
  • MDL number: MFCD00005864
  • EINECS: 202-395-7
  • SAFETY DATA SHEET (SDS)
  • Update Date: 2024-11-19 15:53:33
Thianaphthene Structural

What is Thianaphthene?

Chemical properties

WHITE TO RED CRYSTALLINE LOW MELTING SOLID

The Uses of Thianaphthene

Thianaphthene may be used in the preparation of 2-thianapthenylphenyllithium, via metalation by n-butyllithium.

The Uses of Thianaphthene

Benzo[b]thiophene has application in organic as well as pharmaceutical industry as a component in the synthesis of Raloxifene, a breast cancer therapeutic, or hydrodesulfurization reactions.

The Uses of Thianaphthene

manufacture of pharmaceuticals, thioindigo.

The Uses of Thianaphthene

Benzo[b]thiophene is used in the preparation of 2-thianapthenylphenyllithium, via metalation by n-butyllithium. It is used in organic as well as pharmaceutical industry as a component in the synthesis of raloxifene, a breast cancer therapeutic, or hydrodesulfurization reactions.

What are the applications of Application

Thianaphthene may be used in the preparation of 2-thianapthenylphenyllithium, via metalation by n-butyllithium.
Reaction of ethyl diazoacetate with thianaphthene has been reported.

Definition

ChEBI: 1-benzothiophene is a benzothiophene and a member of 1-benzothiophenes.

Synthesis Reference(s)

Journal of the American Chemical Society, 69, p. 2008, 1947 DOI: 10.1021/ja01200a053
Tetrahedron, 27, p. 1253, 1971 DOI: 10.1016/S0040-4020(01)90874-9

General Description

Reaction of ethyl diazoacetate with thianaphthene has been reported.

Purification Methods

1-Benzothiophene has the odour of naphthalene. If the IR spectrum is not very good, then suspend it in a faintly alkaline aqueous solution and steam distil it. Extract the distillate with Et2O, dry the extract (CaCl2), filter, evaporate the solvent and fractionate the residue. The distillate sets solid. The sulfoxide has m 142o, the picrate has m 148-149o (yellow crystals from EtOH) and the styphnate has m 136-137o. [Hansch & Lindwall J Org Chem 10, 381 1945, Meyer & Meyer Chem Ber 52B 1249 1919, Weisgerber & Kruber 53 1551 1920, Iddon & Scrowston Adv Heterocycl Chem 11 177 1970, Beilstein 17/2 V 6.]

Properties of Thianaphthene

Melting point: 30-33 °C
Boiling point: 221-222 °C(lit.)
Density  1.149 g/mL at 25 °C(lit.)
refractive index  1.6332 (estimate)
Flash point: >230 °F
storage temp.  Store below +30°C.
solubility  0.13g/l
form  Crystalline Solid
pka 32.4
Specific Gravity 1.149
color  White to pink or yellow
Water Solubility  insoluble
Merck  14,9303
BRN  80580
CAS DataBase Reference 95-15-8(CAS DataBase Reference)
NIST Chemistry Reference Benzo[b]thiophene(95-15-8)
EPA Substance Registry System Benzo[b]thiophene (95-15-8)

Safety information for Thianaphthene

Signal word Warning
Pictogram(s)
ghs
Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H302:Acute toxicity,oral
H412:Hazardous to the aquatic environment, long-term hazard
Precautionary Statement Codes P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P270:Do not eat, drink or smoke when using this product.
P273:Avoid release to the environment.
P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P501:Dispose of contents/container to..…

Computed Descriptors for Thianaphthene

InChIKey FCEHBMOGCRZNNI-UHFFFAOYSA-N

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