2,3-Dimethyl-5-phenylthiophene

Base Information

• Chemical Name: 2,3-Dimethyl-5-phenylthiophene
• CAS No.: 40808-42-2
• Molecular Formula: C12H12S
• Molecular Weight: 188.293
• DSSTox Substance ID: DTXSID001306926
• Nikkaji Number: J903.394G
• Mol file: 40808-42-2.mol

Synonyms:2,3-Dimethyl-5-phenylthiophene;40808-42-2;Thiophene, 2,3-dimethyl-5-phenyl-;Dimethyl-5-phenylthiophen;SCHEMBL114000;OQQWUYVWSWBYEQ-UHFFFAOYSA-N;DTXSID001306926;AKOS006321836

Chemical Property of 2,3-Dimethyl-5-phenylthiophene

Chemical Property:

• PSA: 0.00000
• LogP: 0.00000
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 188.06597156
• Heavy Atom Count: 13
• Complexity: 161

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=C(SC(=C1)C2=CC=CC=C2)C

Technology Process of 2,3-Dimethyl-5-phenylthiophene

There total 13 articles about 2,3-Dimethyl-5-phenylthiophene 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: 89.0%

4-mercapto-3-methyl-1-phenylpent-1-yn-3-ol (1403459-91-5) → 2,3-dimethyl-5-phenylthiophene (40808-42-2)

Guidance literature:

With potassium iodide; palladium(II) iodide; In methanol; at 80 ℃; for 1h; Solvent; Inert atmosphere;

DOI:10.1021/jo301943k

Reference yield: 63.0%

2-(2-Methyl-thiiranyl)-4-phenyl-but-3-yn-2-ol (199451-69-9) → 2,3-dimethyl-5-phenylthiophene (40808-42-2)

Guidance literature:

With sulfuric acid; mercury(II) oxide; In acetone; for 1h;

DOI:10.1016/S0040-4039(97)01819-4

Reference yield: 58.0%

(Z)-3-methyl-1-phenylpent-2-en-4-yne-1-thiol (260543-70-2) → 2,3-dimethyl-5-phenylthiophene (40808-42-2)

Guidance literature:

With potassium iodide; palladium(II) iodide; In N,N-dimethyl acetamide; at 100 ℃; for 1.5h;

DOI:10.1021/ol991297c

upstream raw materials:

1,2-dimethyl-1-phenylethynyloxirane

4-tert-Butylsulfanyl-3-methyl-1-phenyl-pent-1-yn-3-ol

2-(2-Methyl-thiiranyl)-4-phenyl-but-3-yn-2-ol

(Z)-3-methyl-1-phenylpent-2-en-4-yne-1-thiol

Downstream raw materials:

6-(4,5-dimethyl-2-phenylthiophen-3-yl)-1,6-dihydropyrimidine hydrochloride