3-[3-(Trifluoromethyl)phenyl]prop-2-en-1-ol

Base Information

• Chemical Name: 3-[3-(Trifluoromethyl)phenyl]prop-2-en-1-ol
• CAS No.: 113048-69-4
• Molecular Formula: C10H9F3O
• Molecular Weight: 202.176
• DSSTox Substance ID: DTXSID901238211
• Nikkaji Number: J1.848.153G
• Mol file: 113048-69-4.mol

Synonyms:3-[3-(trifluoromethyl)phenyl]prop-2-en-1-ol;113048-69-4;64189-17-9;(E)-3-[3-(Trifluoromethyl)phenyl]-2-propen-1-ol;3-[3-(trifluoromethyl)phenyl]-2-propen-1-ol;(E)-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-ol;(E)-3-(3-(Trifluoromethyl)phenyl)prop-2-en-1-ol;SCHEMBL80956;DTXSID901238211;E-3-trifluoromethylcinnamyl alcohol;AC8150;CS-0232324;CS-0356726;3-(3-Trifluoromethyl-phenyl)-prop-2-en-1-ol;EN300-126876;(2E)-3-[3-(Trifluoromethyl)phenyl]-2-propen-1-ol

Chemical Property of 3-[3-(Trifluoromethyl)phenyl]prop-2-en-1-ol

Chemical Property:

• PSA: 20.23000
• LogP: 2.71090
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 202.06054939
• Heavy Atom Count: 14
• Complexity: 198

Purity/Quality:

97% ^*data from raw suppliers

(E)-3-[3-(Trifluoromethyl)phenyl]-2-propen-1-ol 95% ^*data from reagent 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=CCO
• Isomeric SMILES: C1=CC(=CC(=C1)C(F)(F)F)/C=C/CO
• Uses: 3-[3-(Trifluoromethyl)phenyl]prop-2-en-1-ol is a useful intermediate in the preparation of oxadiazole-?2-?oxide analogues which are potential antischistosomal agents.

Technology Process of 3-[3-(Trifluoromethyl)phenyl]prop-2-en-1-ol

There total 15 articles about 3-[3-(Trifluoromethyl)phenyl]prop-2-en-1-ol 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: 95.0%

trans-methyl 3-(3-(trifluoromethyl)phenyl)acrylate (104201-66-3) → (E)-3-(3-trifluoromethylphenyl)prop-2-en-1-ol (113048-69-4)

Guidance literature:

With diisobutylaluminium hydride; In hexane; dichloromethane; at -78 - 0 ℃; Inert atmosphere;

DOI:10.1002/anie.201410039

Reference yield: 91.0%

(E)-3-(3-(trifluoromethyl)phenyl)acrylaldehyde (262268-58-6,871543-59-8) → (E)-3-(3-trifluoromethylphenyl)prop-2-en-1-ol (113048-69-4)

Guidance literature:

With C₄₆H₄₉CoN₃P₄⁽²⁺⁾*2BF₄^(1-); hydrogen; potassium hydroxide; In ethanol; acetonitrile; at 60 ℃; for 24h; under 22801.5 Torr; chemoselective reaction; Autoclave; Glovebox;

DOI:10.1021/jacs.9b11070

Reference yield: 83.0%

1-<3-(trifluoromethyl)phenyl>prop-2-en-1-ol (154309-48-5) → (E)-3-(3-trifluoromethylphenyl)prop-2-en-1-ol (113048-69-4)

Guidance literature:

With sulfuric acid; at 75 - 80 ℃; for 8h;

DOI:10.1016/S0040-4020(01)80743-2

upstream raw materials:

trans-3-(trifluoromethyl)cinnamoyl chloride

1-<3-(trifluoromethyl)phenyl>prop-2-en-1-ol

(E)-ethyl 3-(3-trifluoromethylphenyl)prop-2-enoate

trans-methyl 3-(3-(trifluoromethyl)phenyl)acrylate

Downstream raw materials:

(E)-3-(3-(trifluoromethyl)phenyl)allyl acetate