Ethyl 4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate

Base Information

Chemical Name:Ethyl 4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate
CAS No.:167279-18-7
Molecular Formula:C14H11 F3 O2 S
Molecular Weight:300.301
Hs Code.:2934999090
DSSTox Substance ID:DTXSID40381800
Wikidata:Q82172866
Mol file:167279-18-7.mol

Synonyms:ethyl 4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate;167279-18-7;SCHEMBL1029314;DTXSID40381800;MFCD00113544;FT-0716227;4-phenyl-5-trifluoromethyl-thiophene-2-carboxylic acid ethyl ester

Suppliers and Price of Ethyl 4-phenyl-5-(trifluoromethyl)thiophene-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
Ethyl4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate 95+%
1g
$ 377.00

Chemenu
ethyl4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate 95%
1g
$ 356.00

Arctom
Ethyl4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate ≥95%
1g
$ 299.00

American Custom Chemicals Corporation
ETHYL-4-PHENYL-5-(TRIFLUOROMETHYL)THIOPHENE-2-CARBOXYLATE 95.00%
5MG
$ 499.63

Alichem
Ethyl4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate
1g
$ 400.00

Total 7 raw suppliers

Chemical Property of Ethyl 4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate

Chemical Property:

Vapor Pressure:2.14E-05mmHg at 25°C
Refractive Index:1.52
Boiling Point:361°C at 760 mmHg
Flash Point:172.1°C
PSA：54.54000
Density:1.293g/cm³
LogP:4.61060
Storage Temp.:2-8°C
XLogP3:4.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:300.04318525
Heavy Atom Count:20
Complexity:340

Purity/Quality:

98%min ^*data from raw suppliers

Ethyl4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate 95+% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)C1=CC(=C(S1)C(F)(F)F)C2=CC=CC=C2

Technology Process of Ethyl 4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate

There total 3 articles about Ethyl 4-phenyl-5-(trifluoromethyl)thiophene-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: 78.0%

: 119197-24-9,119197-25-0,146936-34-7
3-chloro-4,4,4-trifluoro-2-phenyl-but-2-enal

: 623-51-8
ethyl 2-sulfanylacetate

: 167279-18-7
ethyl 5-(trifluoromethyl)-4-phenylthiophene-2-carboxylate

Guidance literature:: ethyl 2-sulfanylacetate; With sodium hydride; In tetrahydrofuran; at 25 ℃;

3-chloro-4,4,4-trifluoro-2-phenyl-but-2-enal; In tetrahydrofuran; at 20 ℃; for 20h;
DOI:10.1021/jm0492507

Reference yield:

: 119197-25-0
(Z)-2-phenyl-3-chloro-4,4,4-trifluoro-but-2-en-1-al

: 623-51-8
ethyl 2-sulfanylacetate

: 167279-18-7
ethyl 5-(trifluoromethyl)-4-phenylthiophene-2-carboxylate

Guidance literature:: In tetrahydrofuran; mineral oil;

Reference yield:

: 350-92-5
1,1,1-Trifluoro-3-phenylpropan-2-one

: 167279-18-7
ethyl 5-(trifluoromethyl)-4-phenylthiophene-2-carboxylate

Guidance literature:: Multi-step reaction with 2 steps

1.1: 82 percent / phosphorus oxychloride / 20 h / 70 °C

2.1: NaH / tetrahydrofuran / 25 °C

2.2: 78 percent / tetrahydrofuran / 20 h / 20 °C

With sodium hydride; trichlorophosphate; In tetrahydrofuran;
DOI:10.1021/jm0492507