m-Trifluoromethyl cinnamic acid

Base Information

Chemical Name:m-Trifluoromethyl cinnamic acid
CAS No.:16642-87-8
Molecular Formula:C10H7 F3 O2
Molecular Weight:216.16
Hs Code.:2916399090
DSSTox Substance ID:DTXSID60884924
Nikkaji Number:J1.604.650G
Wikidata:Q82863576
Mol file:16642-87-8.mol

Synonyms:16642-87-8;m-Trifluoromethyl cinnamic acid;(Z)-m-(Trifluoromethyl)cinnamic acid;(Z)-3-[3-(trifluoromethyl)phenyl]prop-2-enoic acid;META-(TRIFLUOROMETHYL)-CINNAMICACID;2-Propenoic acid, 3-(3-(trifluoromethyl)phenyl)-, (2Z)-;2-Propenoic acid, 3-[3-(trifluoromethyl)phenyl]-, (2Z)-;(Z)-3-[3-(Trifluoromethyl)phenyl]acrylic acid;SCHEMBL15673342;DTXSID60884924;KSBWHDDGWSYETA-PLNGDYQASA-N;Cinnamic acid, m-(trifluoromethyl)-, (Z)-

Suppliers and Price of m-Trifluoromethyl cinnamic 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
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price

Total 2 raw suppliers

Chemical Property of m-Trifluoromethyl cinnamic acid

Chemical Property:

Vapor Pressure:0.001mmHg at 25°C
Boiling Point:289.6°Cat760mmHg
Flash Point:129°C
PSA：37.30000
Density:1.363g/cm³
LogP:2.80320
XLogP3:3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:216.03981395
Heavy Atom Count:15
Complexity:258

Purity/Quality:: 99%+ ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CC(=C1)C(F)(F)F)C=CC(=O)O
Isomeric SMILES:C1=CC(=CC(=C1)C(F)(F)F)/C=C\C(=O)O

Technology Process of m-Trifluoromethyl cinnamic acid

There total 3 articles about m-Trifluoromethyl cinnamic 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: 90.0%

: 1270893-40-7
(Z)-ethyl 3-(3-(trifluoromethyl)phenyl)acrylate

: 16642-87-8,67801-07-4
(Z)-3-[3-(trifluoromethyl)phenyl]acrylic acid

Guidance literature:: With water; sodium hydroxide; In ethanol; at 20 ℃; for 4h;
DOI:10.1016/j.phytochem.2013.08.013

Reference yield:

: 454-89-7
3-Trifluoromethylbenzaldehyde

: 16642-87-8,67801-07-4
(Z)-3-[3-(trifluoromethyl)phenyl]acrylic acid

Guidance literature:: Multi-step reaction with 2 steps

1.1: N-benzyl-trimethylammonium hydroxide / methanol; tetrahydrofuran / -78 °C / Inert atmosphere

1.2: -78 °C / Inert atmosphere

2.1: sodium hydroxide; water / ethanol / 4 h / 20 °C

With water; N-benzyl-trimethylammonium hydroxide; sodium hydroxide; In tetrahydrofuran; methanol; ethanol; 1.1: |Horner-Wadsworth-Emmons Olefination / 1.2: |Horner-Wadsworth-Emmons Olefination;
DOI:10.1016/j.phytochem.2013.08.013