(4-Methylphenyl)(2-thienyl)methanone

Base Information

• Chemical Name: (4-Methylphenyl)(2-thienyl)methanone
• CAS No.: 6933-25-1
• Molecular Formula: C12H10 O S
• Molecular Weight: 202.277
• Hs Code.: 2934999090
• European Community (EC) Number: 230-057-9
• DSSTox Substance ID: DTXSID50989038
• Nikkaji Number: J265.967K
• Wikidata: Q82977849
• Mol file: 6933-25-1.mol

Synonyms:(4-methylphenyl)(2-thienyl)methanone;6933-25-1;(4-methylphenyl)(thiophen-2-yl)methanone;(4-methylphenyl)-thiophen-2-ylmethanone;2-Thienyl p-tolyl ketone;p-Tolyl 2-thienyl ketone;thiophen-2-yl(p-tolyl)methanone;EINECS 230-057-9;Thiophen-2-yl-p-tolylmethanone;SCHEMBL2760408;DTXSID50989038;MFCD00130094;STK392475;AKOS000270508;LS-07577;BB 0219089;CS-0313917;(4-METHYLPHENYL)(THIEN-2-YL)METHANONE;D86994;F2130-0056

Chemical Property of (4-Methylphenyl)(2-thienyl)methanone

Chemical Property:

• PSA: 45.31000
• LogP: 3.28750
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 202.04523611
• Heavy Atom Count: 14
• Complexity: 206

Purity/Quality:

99% ^*data from raw suppliers

(4-methylphenyl)(thiophen-2-yl)methanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C(=O)C2=CC=CS2

Technology Process of (4-Methylphenyl)(2-thienyl)methanone

There total 29 articles about (4-Methylphenyl)(2-thienyl)methanone 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: 96.0%

thiophene (188290-36-0,8014-23-1,25233-34-5) + carbon monoxide (201230-82-2) + 4-tolyl iodide (624-31-7) → 2-thienyl 4-methylphenyl ketone (6933-25-1)

Guidance literature:

With bis(η3-allyl-μ-chloropalladium(II)); silver trifluoromethanesulfonate; In 1,2-dichloro-ethane; at 100 ℃; for 24h; under 3040.2 Torr; Reagent/catalyst; Temperature; Inert atmosphere; Sealed tube; Glovebox; Schlenk technique; Green chemistry;

DOI:10.1038/NCHEM.2903

Reference yield: 93.0%

tri-(2-thienyl)-stibine (108565-42-0) + 4-methyl-benzoyl chloride (874-60-2) → 2-thienyl 4-methylphenyl ketone (6933-25-1)

Guidance literature:

With iron(III) chloride; In 1,2-dichloro-ethane; at 80 ℃; for 3h; Inert atmosphere;

DOI:10.3987/COM-15-13227

Reference yield: 93.0%

di(p-tolyl)borinic acid (66117-64-4) + N-methyl-N-tosylthiophene-2-carboxamide → 2-thienyl 4-methylphenyl ketone (6933-25-1)

Guidance literature:

With [1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene](3-chloropyridyl)palladium(ll) dichloride; potassium carbonate; In tetrahydrofuran; at 65 ℃; for 12h; Inert atmosphere; Schlenk technique;

DOI:10.1016/j.tetlet.2018.05.003

upstream raw materials:

thiophene

para-chlorotoluene

4-methyl-benzoyl chloride

p-Toluic acid

Downstream raw materials:

α-cyano-β-(2-thienyl)-β-(p-tolyl)acrylonitrile

trans-(SC₄H₃/CO₂Me)-3-methoxycarbonyl-4-(p-tolyl)-4-(2'-thienyl)but-3-enoic acid

2-[(4-methylphenyl)methyl]thiophene

2-[α-hydroxy-α-(p-tolyl)-methyl]thiophene