2(3H)-Thiophenone

Base Information

• Chemical Name: 2(3H)-Thiophenone
• CAS No.: 20893-64-5
• Molecular Formula: C4H4OS
• Molecular Weight: 100.141
• DSSTox Substance ID: DTXSID60871319
• Nikkaji Number: J1.937.953A
• Mol file: 20893-64-5.mol

Synonyms:Thiophen-2(3H)-one;20893-64-5;2(3H)-Thiophenone;thiol-2-one;3H-Thiophen-2-one;SCHEMBL125948;DTXSID60871319

Chemical Property of 2(3H)-Thiophenone

Chemical Property:

• XLogP3: 0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 99.99828592
• Heavy Atom Count: 6
• Complexity: 95.7

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1C=CSC1=O

Technology Process of 2(3H)-Thiophenone

There total 2 articles about 2(3H)-Thiophenone 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: 80.0%

thiophen-2-ol (17236-58-7) → 2-thiophenone (20893-64-5) + 2,5-dihydro-2H-2-oxothiophene (3354-32-3)

Guidance literature:

Equilibrium constant;

DOI:10.1016/S0040-4039(00)84773-5

Reference yield:

2-bromothiophene (1003-09-4) → 2-thiophenone (20893-64-5) + 2,2'-Bithiophene (492-97-7)

Guidance literature:

With diethyl ether; oxygen; magnesium; isopropyl bromide; Behandeln mit wss. Schwefelsaeure;

DOI:10.1021/ja01168a049

Reference yield:

2-thiophenone (20893-64-5) + 1-(2-(hydroxymethyl)-3-methylphenyl)-4-methyl-1,4-dihydrotetrazol-5-one → 1-[2-(thiophen-2-yloxymethyl)-3-methylphenyl]-4-methyl-1,4-dihydrotetrazol-5-one

Guidance literature:

1-(2-(hydroxymethyl)-3-methylphenyl)-4-methyl-1,4-dihydrotetrazol-5-one; With triphenylphosphine; diethylazodicarboxylate; In tetrahydrofuran; toluene; for 0.166667h; Cooling with ice;

2-thiophenone; In tetrahydrofuran; toluene; at 20 ℃; for 5h;

upstream raw materials:

2-bromothiophene

thiophen-2-ol

Downstream raw materials:

5-benzylidene-5H-thiophen-2-one

Refernces