4-(Trifluoromethyl)cinnamaldehyde

Base Information

• Chemical Name: 4-(Trifluoromethyl)cinnamaldehyde
• CAS No.: 95123-61-8
• Molecular Formula: C10H7F3O
• Molecular Weight: 200.16
• European Community (EC) Number: 663-263-6
• Nikkaji Number: J1.117.977K,J2.197.078F
• Mol file: 95123-61-8.mol

Synonyms:4-(Trifluoromethyl)cinnamaldehyde;41917-83-3;3-(4-(Trifluoromethyl)phenyl)acrylaldehyde;41317-83-3;3-(4-Trifluoromethylphenyl)-2-propenal;(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enal;3-(4-Trifluoromethylphenyl)propenal;(E)-3-(4-(Trifluoromethyl)phenyl)acrylaldehyde;4-Trifluoromethylcinnamaldehyde;4-(TRIFLUOROMETHYL)CINNAMIC ALDEHYDE;MFCD09835193;SCHEMBL1224353;SCHEMBL1922783;AKOS005063993;3-[4-(Trifluoromethyl)phenyl]propenal;AC-9778;trans-4-(trifluoromethyl)cinnamaldehyde;Trans-4-(trifluoromethyl) cinnamaldehyde;AS-20010;3-[4-(Trifluoromethyl)phenyl]-2-propenal;2-Propenal,3-[4-(trifluoroMethyl)phenyl]-;CS-0006638;A856642;(2E)-3-[4-(TRIFLUOROMETHYL)PHENYL]PROP-2-ENAL;95123-61-8

Chemical Property of 4-(Trifluoromethyl)cinnamaldehyde

Chemical Property:

• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 200.04489933
• Heavy Atom Count: 14
• Complexity: 212

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C=CC=O)C(F)(F)F
• Isomeric SMILES: C1=CC(=CC=C1/C=C/C=O)C(F)(F)F

Technology Process of 4-(Trifluoromethyl)cinnamaldehyde

There total 42 articles about 4-(Trifluoromethyl)cinnamaldehyde 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%

3-(4-trifluoromethylphenyl)-2-propen-1-ol (125617-18-7) → (2E)-3-(4-trifluoromethylphenyl)prop-2-enal (95123-61-8)

Guidance literature:

With manganese(IV) oxide; In dichloromethane; at 20 ℃; for 2h;

DOI:10.1248/cpb.48.694

Reference yield: 90.0%

(E)-1-(3-methoxyprop-1-en-1-yl)-4-(trifluoromethyl)benzene → (2E)-3-(4-trifluoromethylphenyl)prop-2-enal (95123-61-8)

Guidance literature:

With 4-acetylamino-2,2,6,6-tetramethylpiperidine-1-oxoammonium tetrafluoroborate; In dichloromethane; water; at 45 ℃; for 72h;

DOI:10.1039/c5ob00270b

Reference yield: 89.0%

3-(4-trifluoromethylphenyl)propanal (166947-09-7) → 4-(trifluoromethyl)cinnamaldehyde (95123-61-8,41917-83-3)

Guidance literature:

With bis(benzonitrile)palladium(II) dichloride; tert.-butylnitrite; oxygen; toluene-4-sulfonic acid; 1,3,5-trimethyl-benzene; In tert-butyl alcohol; at 25 ℃; for 8h; under 760.051 Torr;

DOI:10.1021/acscatal.7b01008

upstream raw materials:

C₁₄H₁₇F₃O₂

acrylaldehyde diethyl acetal

p-trifluoromethylphenyl bromide

4-Trifluoromethylbenzaldehyde

Downstream raw materials:

4-(4-(trifluoromethyl)phenyl)-4,5-dihydro-8-methylbenzo[b][1,4]oxazepin-2(3H)-one

ethyl 2-(4-formyl-1-tosyl-5-(4-(trifluoromethyl)phenyl)pyrrolidin-3-yl)acetate

C₁₈H₁₉F₃O₃

(S)-3-formyl-4-methyl-2-(4-(trifluoromethyl)phenyl)cyclopent-3-ene-1,1-dicarbonitrile