Methyl 5-p-tolylthiophene-2-carboxylate

Base Information

Chemical Name:Methyl 5-p-tolylthiophene-2-carboxylate
CAS No.:50971-49-8
Molecular Formula:C13H12O2S
Molecular Weight:232.303
Hs Code.:2934999090
European Community (EC) Number:675-227-7
DSSTox Substance ID:DTXSID30965239
Wikidata:Q82947433
Mol file:50971-49-8.mol

Synonyms:Methyl 5-p-tolylthiophene-2-carboxylate;50971-49-8;methyl 5-(4-methylphenyl)thiophene-2-carboxylate;SCHEMBL12348717;DTXSID30965239;STL217552;AKOS015860484;FS-1690;Methyl5-p-tolylthiophene-2-carboxylate;FT-0619730;Z1213725970;5-(P-TOLYL)THIOPHENE-2-CARBOXYLIC ACID METHYL ESTER

Suppliers and Price of Methyl 5-p-tolylthiophene-2-carboxylate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Crysdot
Methyl5-p-tolylthiophene-2-carboxylate 95+%
100g
$ 606.00

Arctom
Methyl5-p-tolylthiophene-2-carboxylate 95%
5g
$ 112.00

Total 3 raw suppliers

Chemical Property of Methyl 5-p-tolylthiophene-2-carboxylate

Chemical Property:

Melting Point:109～110℃C
PSA：54.54000
LogP:3.51010
XLogP3:3.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:232.05580079
Heavy Atom Count:16
Complexity:246

Purity/Quality:

98%min ^*data from raw suppliers

Methyl5-p-tolylthiophene-2-carboxylate 95+% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC=C(C=C1)C2=CC=C(S2)C(=O)OC

Technology Process of Methyl 5-p-tolylthiophene-2-carboxylate

There total 3 articles about Methyl 5-p-tolylthiophene-2-carboxylate 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: 85.0%

: 5380-42-7
thiophene-2-carboxylic acid methyl ester

: 106-38-7
para-bromotoluene

: 50971-49-8
5-(4-methylphenyl)thiophene-2-carboxylic acid methyl ester

Guidance literature:: With C₄₀H₃₆N₂O₂Pd⁽²⁺⁾*2C₂H₄O₂; potassium carbonate; Trimethylacetic acid; In N,N-dimethyl acetamide; at 100 ℃; for 24h; regioselective reaction; Inert atmosphere; Schlenk technique;
DOI:10.1021/jo402745b

Reference yield:

: 7311-63-9
5-bromothiophene-2-carboxylic acid

: 50971-49-8
5-(4-methylphenyl)thiophene-2-carboxylic acid methyl ester

Guidance literature:: Multi-step reaction with 2 steps

1: thionyl chloride / 3 h

2: sodium carbonate; tetrakis(triphenylphosphine) palladium⁽⁰⁾ / methanol; toluene / 18 h / 96 °C / Inert atmosphere

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; thionyl chloride; sodium carbonate; In methanol; toluene;