3-Vinylthiophene

Base Information

• Chemical Name: 3-Vinylthiophene
• CAS No.: 13679-64-6
• Molecular Formula: C6H6S
• Molecular Weight: 110.18
• Hs Code.: 2934999090
• European Community (EC) Number: 831-312-2
• DSSTox Substance ID: DTXSID70447084
• Nikkaji Number: J769.780E
• Wikidata: Q82265867
• Mol file: 13679-64-6.mol

Synonyms:3-VINYLTHIOPHENE;13679-64-6;3-ethenylthiophene;Thiophene, 3-ethenyl-;3-vinyl thiophene;Thiophene,3-ethenyl-;SCHEMBL487376;SCHEMBL13123527;DTXSID70447084;MFCD07438049;AKOS006286336;3-VINYLTHIOPHENE,TBC AS STABILIZER;PS-11981;CS-0158015;FT-0764526;D84207;EN300-300351

Chemical Property of 3-Vinylthiophene

Chemical Property:

• Vapor Pressure: 4.62mmHg at 25°C
• Refractive Index: 1.593
• Boiling Point: 151.7 °C at 760 mmHg
• Flash Point: 29.2 °C
• PSA: 28.24000
• Density: 1.05 g/cm³
• LogP: 2.39110
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 110.01902136
• Heavy Atom Count: 7
• Complexity: 68.6

Purity/Quality:

99% ^*data from raw suppliers

3-ethenylthiophene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CC1=CSC=C1

Technology Process of 3-Vinylthiophene

There total 1 articles about 3-Vinylthiophene which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

→ 3-vinylthiophene (13679-64-6) + 1-(thiophen-3-yl)-ethanone (1468-83-3)

Guidance literature:

With potassium hydrogensulfate; at 250 ℃;

Reference yield: 96.0%

3-vinylthiophene (13679-64-6) + benzaldehyde N-boc imine (150884-50-7) → (4S,6R)-4-phenyl-6-(thiophen-3-yl)-1,3-oxazinan-2-one

Guidance literature:

3-vinylthiophene; With (R)-3,3'-di(4-tert-butylphenyl)(1,1'-binaphthyl)-2,2'-disulfonic acid; potassium tert-butylate; magnesium ethylate; In monoethylene glycol diethyl ether; at 0 ℃; for 0.5h; Inert atmosphere; Molecular sieve;

benzaldehyde N-boc imine; In 1,2-dichloro-ethane; at 0 ℃; for 5h; stereoselective reaction; Inert atmosphere; Molecular sieve;

DOI:10.1021/jacs.7b04795

Reference yield: 87.0%

3-vinylthiophene (13679-64-6) + phenyl formate (1864-94-4) → C13H12O2S

Guidance literature:

With formic acid; palladium diacetate; CyJohnPhos; In toluene; at 90 ℃; for 24h; regioselective reaction; Inert atmosphere; Sealed tube;

DOI:10.1021/acs.orglett.5b01630

Downstream raw materials:

anthra[1,2-b]thiophene

1-phenyl-3-(thiophen-3-yl)propan-1-one

3-thiophenecarbonitrile

3-(thiophen-2-yl)-2H-benzo[e][1,2,4]thiadiazine 1,1-dioxide