3-Methylthiophene-2(3H)-one

Base Information

• Chemical Name: 3-Methylthiophene-2(3H)-one
• CAS No.: 33687-85-3
• Molecular Formula: C₅H₆OS
• Molecular Weight: 114.168
• DSSTox Substance ID: DTXSID20955301
• Nikkaji Number: J3.245.182I

Synonyms:33687-85-3;2(5H)-Thiophenone,3-methyl-;3-Methylthiophen-2(3H)-one;SCHEMBL6723875;2(5H)-Thiophenone, 3-methyl-;DTXSID20955301

Chemical Property of 3-Methylthiophene-2(3H)-one

Chemical Property:

• Vapor Pressure: 2.82mmHg at 25°C
• Boiling Point: 157°Cat760mmHg
• Flash Point: 52°C
• Density: 1.165g/cm³
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 114.01393598
• Heavy Atom Count: 7
• Complexity: 117

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C=CSC1=O

Technology Process of 3-Methylthiophene-2(3H)-one

There total 3 articles about 3-Methylthiophene-2(3H)-one 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:

C7H13BO2S + C7H13BO2S → 4-methyl-2(5H)-thiophenone (35983-75-6) + 3-methyl-2(5H)-thiophenone (33687-85-3)

Guidance literature:

With dihydrogen peroxide; In diethyl ether; hexane; for 1h; Heating;

DOI:10.1002/ejoc.200700656

Reference yield:

3-Methylthiophene (616-44-4,84928-92-7) → 4-methyl-2(5H)-thiophenone (35983-75-6) + 3-methyl-2(5H)-thiophenone (33687-85-3)

Guidance literature:

Yield given. Multistep reaction. Yields of byproduct given;

DOI:10.1002/hlca.19850680830

Reference yield:

→ 3-methyl-2(5H)-thiophenone (33687-85-3)

Guidance literature:

2-Brom-3-methylthiophen, 1) n-BuLi, 2) Triethylborat, 3) H2O2;

upstream raw materials:

3-Methylthiophene

Downstream raw materials:

2-(benzyloxy)-3-methylthiophene

3-benzyl-3-methyl-2(3H)-thiophenone

3-methyl-3-(2-propenyl)-2(3H)-thiophenone

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