3-Methyl-2-vinylthiophene

Base Information

• Chemical Name: 3-Methyl-2-vinylthiophene
• CAS No.: 79461-92-0
• Molecular Formula: C7H8S
• Molecular Weight: 124.207
• DSSTox Substance ID: DTXSID301310754
• Nikkaji Number: J638.133B
• Mol file: 79461-92-0.mol

Synonyms:2-ethenyl-3-methylthiophene;3-methyl-2-vinylthiophene;79461-92-0;3-methyl-2-vinyl-thiophene;SCHEMBL975823;YQNNMEFXEVCWEZ-UHFFFAOYSA-N;DTXSID301310754;AKOS013990310;FT-0764099;EN300-388652

Chemical Property of 3-Methyl-2-vinylthiophene

Chemical Property:

• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 124.03467143
• Heavy Atom Count: 8
• Complexity: 88.4

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(SC=C1)C=C

Technology Process of 3-Methyl-2-vinylthiophene

There total 4 articles about 3-Methyl-2-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:

2-ethyl-3-methyl-thiophene (31805-48-8) → 2-acetyl-3-methylthiophene (13679-72-6) + 2-acetylthiophene-3-carboxaldehyde (16363-92-1) + 3-methyl-2-vinyl-thiophene (79461-92-0) + 2-(1-hydroxyethyl)-3-methylthiophene (79461-91-9) + 1-(3-methyl-2-thienyl)ethyl acetate (79461-90-8)

Guidance literature:

With oxygen; cobalt acetate-sodium bromide; sodium bromide; In acetic acid; at 90 ℃; for 2h; Product distribution; Rate constant; Kinetics; var. conc. of catalyst;

DOI:10.1007/BF00503478

Reference yield:

2-ethyl-3-methyl-thiophene (31805-48-8) → 2-acetyl-3-methylthiophene (13679-72-6) + 3-methyl-2-vinyl-thiophene (79461-92-0) + 2-(1-hydroxyethyl)-3-methylthiophene (79461-91-9) + 1-(3-methyl-2-thienyl)ethyl acetate (79461-90-8)

Guidance literature:

With Co complex with pyridine; oxygen; sodium bromide; In acetic acid; at 90 ℃; Product distribution; Rate constant; various concentration of the complex; other solvent; other initiators; without the bromide; other complexes of Co(II);

Reference yield:

2-(1-hydroxyethyl)-3-methylthiophene (79461-91-9) + acetic acid (64-19-7,77671-22-8) → 2-acetyl-3-methylthiophene (13679-72-6) + 3-methyl-2-vinyl-thiophene (79461-92-0) + 1-(3-methyl-2-thienyl)ethyl acetate (79461-90-8)

Guidance literature:

With oxygen; cobalt(II) acetate; sodium bromide; at 70 - 90 ℃; Product distribution;

upstream raw materials:

2-ethyl-3-methyl-thiophene

acetic acid

2-(1-hydroxyethyl)-3-methylthiophene

Refernces

• 1、 Kazakova, O. A.,Volkov, M. N.,Zelentsov, V. V.. "CATALYTIC ACTIVITY OF THE CARBOXYLATE COMPLEXES OF COBALT(II) WITH NITROGEN-CONTAINING HETEROCYCLIC LIGANDS IN THE LIQUID-PHASE OXIDATION OF DIALKYLTHIOPHENES". . p. 2015 - 2019. Retrieved 2007/10/02.