3-[2-(Trifluoromethyl)phenyl]prop-2-enal

Base Information

• Chemical Name: 3-[2-(Trifluoromethyl)phenyl]prop-2-enal
• CAS No.: 123486-66-8
• Molecular Formula: C10H7F3O
• Molecular Weight: 200.16
• DSSTox Substance ID: DTXSID30702020
• Mol file: 123486-66-8.mol

Synonyms:3-[2-(Trifluoromethyl)phenyl]prop-2-enal;123486-66-8;3-(2-(trifluoromethyl)phenyl)acrylaldehyde;DTXSID30702020;AKOS017560857;3-(2-trifluoromethylphenyl)acrylaldehyde

Chemical Property of 3-[2-(Trifluoromethyl)phenyl]prop-2-enal

Chemical Property:

• Vapor Pressure: 0.0303mmHg at 25°C
• Melting Point: 43-45 °C
• Boiling Point: 244.5oC at 760 mmHg
• Flash Point: 102.8oC
• PSA: 17.07000
• Density: 1.241g/cm3
• LogP: 2.91750
• 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: 220

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 3-[2-(Trifluoromethyl)phenyl]prop-2-enal

There total 12 articles about 3-[2-(Trifluoromethyl)phenyl]prop-2-enal 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: 70.0%

1-(2-trifluoromethylphenyl)-2-propyn-1-ol → 3-<2'-(trifluoromethyl)phenyl>-2-propenal (123486-66-8)

Guidance literature:

With methyl trifluoromethanesulfonate; In 2,2,2-trifluoroethanol; at 70 ℃; for 1h;

DOI:10.1055/s-0036-1588800

Reference yield: 15.0%

3-(2-(trifluoromethyl)phenyl)propan-1-ol (191155-81-4) → 3-<2'-(trifluoromethyl)phenyl>-2-propenal (123486-66-8)

Guidance literature:

With N-ethylmorpholine N-oxide; methyltriphenylphosphonium perruthenate; C₃₆H₈₂KN₆O₁₂⁽⁵⁺⁾*3C₆H₁₃NO₂*C₆H₁₄NO₂⁽¹⁺⁾*6F₆P^(1-); In acetonitrile; at 20 - 45 ℃; for 2h; Molecular sieve;

DOI:10.1071/CH21137

Reference yield:

trans-3-(2-trifluoromethylphenyl)-2-propen-1-ol → 3-<2'-(trifluoromethyl)phenyl>-2-propenal (123486-66-8)

Guidance literature:

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

DOI:10.1039/c1cc14850h

upstream raw materials:

2-Trifluoromethylbenzaldehyde

acetaldehyde

(triphenylphosphoranylidene)acetaldehyde

ethyl (2E)-3-(2-trifluoromethylphenyl)propenoate

Downstream raw materials:

3⁽⁵⁾-[2-(2-trifluoromethylphenyl)vinyl]-1H-pyrazole

(E)-1-(but-1-en-3-ynyl)-2-trifluoromethylbenzene

3-methyl-1-phenyl-5-(2-(trifluoromethyl)phenyl)-4,5-dihydro-1H-pyrazole

(E)-N-(1-(2-(trifluoromethyl)phenyl)hexa-1,5-dien-3-yl)acrylamide

Refernces

• 1、 Bettencourt, Christian J.,Chow, Sharon,Moore, Peter W.,Read, Christopher D.G.,Jiao, Yanxiao,Bakker, Jan Peter,Zhao, Sheng,Bernhardt, Paul V.,Williams, Craig M.. "Tandem oxidation-dehydrogenation of (hetero)arylated primary alcohols via perruthenate catalysis". . p. 652 - 659. Retrieved 2021/09/08.
• 2、 Wei, Hanwen,Mao, Fei,Ni, Shuaishuai,Chen, Feifei,Li, Baoli,Qiu, Xiaoxia,Hu, Linghao,Wang, Manjiong,Zheng, Xinyu,Zhu, Jin,Lan, Lefu,Li, Jian. "Discovery of novel piperonyl derivatives as diapophytoene desaturase inhibitors for the treatment of methicillin-, vancomycin- and linezolid-resistant Staphylococcus aureus infections". . p. 235 - 251. Retrieved 2018/01/17.