3,5-Bis(trifluoromethyl)hydrocinnamic acid

Base Information

Chemical Name:3,5-Bis(trifluoromethyl)hydrocinnamic acid
CAS No.:181772-16-7
Molecular Formula:C11H8F6O2
Molecular Weight:286.174
Hs Code.:2916399090
European Community (EC) Number:623-669-6
DSSTox Substance ID:DTXSID90361455
Wikidata:Q72447173
Mol file:181772-16-7.mol

Synonyms:181772-16-7;3,5-Bis(trifluoromethyl)hydrocinnamic acid;3-(3,5-bis(trifluoromethyl)phenyl)propanoic acid;3-[3,5-bis(trifluoromethyl)phenyl]propanoic Acid;3,5-Bis(trifluoromethyl)benzenepropanoic acid;Benzenepropanoic acid, 3,5-bis(trifluoromethyl)-;MFCD00674033;SCHEMBL1015795;DTXSID90361455;STR04952;AKOS015852698;3,5-bis-trifluoromethyl-hydrocinnamic acid;CS-0314218;FT-0643750;3-(3,5-ditrifluoromethylphenyl)propionic acid;A50651;3-(3,5-bis(trifluoromethyl)phenyl)propanoicacid;3,5-Bis(trifluoromethyl)hydrocinnamic acid, 97%;A812635;3-(3,5-bis-trifluoromethyl-phenyl)-propionic acid;J-011627;BRD-K47134698-001-01-2

Suppliers and Price of 3,5-Bis(trifluoromethyl)hydrocinnamic acid

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

Sigma-Aldrich
3,5-Bis(trifluoromethyl)hydrocinnamic acid 97%
5g
$ 322.00

American Custom Chemicals Corporation
3,5-BIS(TRIFLUOROMETHYL)HYDROCINNAMIC ACID 95.00%
10G
$ 1629.04

American Custom Chemicals Corporation
3,5-BIS(TRIFLUOROMETHYL)HYDROCINNAMIC ACID 95.00%
5G
$ 1089.36

American Custom Chemicals Corporation
3,5-BIS(TRIFLUOROMETHYL)HYDROCINNAMIC ACID 95.00%
1G
$ 677.51

AHH
3,5-Bis(trifluoromethyl)hydrocinnamic acid 97%
25g
$ 475.00

Acrotein
3,5-Bis(trifluoromethyl)benzenepropanoicacid 97%
5g
$ 430.83

Total 12 raw suppliers

Chemical Property of 3,5-Bis(trifluoromethyl)hydrocinnamic acid

Chemical Property:

Vapor Pressure:0.0139mmHg at 25°C
Melting Point:68-73oC(lit.)
Boiling Point:247oC at 760 mmHg
PKA:4.45±0.10(Predicted)
Flash Point:103.2oC
PSA：37.30000
Density:1.427g/cm3
LogP:3.74140
XLogP3:3.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:3
Exact Mass:286.04284847
Heavy Atom Count:19
Complexity:300

Purity/Quality:

97% ^*data from raw suppliers

3,5-Bis(trifluoromethyl)hydrocinnamic acid 97% ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xi
Hazard Codes:Xi
Statements: 36/37/38
Safety Statements: 26-36

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)CCC(=O)O
Uses 3,5-Bis(trifluoroMethyl)hydrocinnaMic acid can be used to prepare novel biologically active amides.

Technology Process of 3,5-Bis(trifluoromethyl)hydrocinnamic acid

There total 2 articles about 3,5-Bis(trifluoromethyl)hydrocinnamic acid 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%

: 3984-22-3
2-vinyl-1,3-dioxolane

: 328-70-1
3,6-bis(trifluoromethyl)bromobenzene

: 181772-16-7
3-(3,5-bis(trifluoromethyl)phenyl)propanoic acid

Guidance literature:: 2-vinyl-1,3-dioxolane; 3,6-bis(trifluoromethyl)bromobenzene; With potassium carbonate; Pd-Tedicyp catalyst; In N,N-dimethyl-formamide; at 110 ℃; for 20h;

With sodium hydroxide; water; In N,N-dimethyl-formamide; at 50 - 80 ℃;
DOI:10.1016/j.tet.2004.09.061

Reference yield:

: 503179-72-4,155814-20-3
3,5-bis(trifluoromethyl) cinnamic acid

: 181772-16-7
3-(3,5-bis(trifluoromethyl)phenyl)propanoic acid

Guidance literature:: With palladium 10% on activated carbon; hydrogen; In tetrahydrofuran; at 20 ℃;
DOI:10.1016/j.bmc.2009.04.010

Reference yield: 82.0%

: 181772-16-7
3-(3,5-bis(trifluoromethyl)phenyl)propanoic acid

: (3-fluoro-4-(methylsulfonamido)phenyl)methanaminium chloride

: 1165738-65-7
3-(3,5-bis(trifluoromethyl)phenyl)-N-(3-fluoro-4-(methylsulfonamido)benzyl)propanamide

Guidance literature:: 3-(3,5-bis(trifluoromethyl)phenyl)propanoic acid; With 4-methyl-morpholine; triethylamine; 4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholinium chloride; In tetrahydrofuran; for 4h;

(3-fluoro-4-(methylsulfonamido)phenyl)methanaminium chloride; In tetrahydrofuran; at 20 ℃; for 10h;
DOI:10.1016/j.bmc.2009.04.010