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: 2024-12-18 13:37:16
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) |
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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