3-[3-(Trifluoromethyl)phenyl]-2-propenal

Base Information

• Chemical Name: 3-[3-(Trifluoromethyl)phenyl]-2-propenal
• CAS No.: 871543-59-8
• Molecular Formula: C₁₀H₇F₃O
• Molecular Weight: 200.16
• European Community (EC) Number: 617-975-9
• DSSTox Substance ID: DTXSID101276089
• Mol file: 871543-59-8.mol

Synonyms:3-[3-(trifluoromethyl)phenyl]-2-propenal;871543-59-8;3-[3-(trifluoromethyl)phenyl]prop-2-enal;3-trifluoromethylcinnamaldehyde;DTXSID101276089;AKOS030228177;3-[3-(trifluoromethyl)phenyl]propenaldehyde

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

Chemical Property:

• Vapor Pressure: 0.015mmHg at 25°C
• Refractive Index: 1.499
• Boiling Point: 256.865 °C at 760 mmHg
• Flash Point: 107.119 °C
• PSA: 17.07000
• Density: 1.241 g/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:

3-(3-(Trifluoromethyl)phenyl)acrylaldehyde 97% ^*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=CC=O

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

There total 23 articles about 3-[3-(Trifluoromethyl)phenyl]-2-propenal 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: 76.0%

3-Trifluoromethylbenzaldehyde (454-89-7) + acetaldehyde (75-07-0,9002-91-9) → 3-(3-(trifluoromethyl)phenyl)acrylaldehyde (871543-59-8)

Guidance literature:

3-Trifluoromethylbenzaldehyde; With sodium hydroxide; In ethanol; at 20 ℃; for 1h;

acetaldehyde; In ethanol; at 20 ℃; for 9h; Temperature;

Reference yield: 75.0%

3-Trifluoromethylbenzaldehyde (454-89-7) + acetaldehyde (75-07-0,9002-91-9) → (E)-3-(3-(trifluoromethyl)phenyl)acrylaldehyde (262268-58-6,871543-59-8)

Guidance literature:

With 1,8-diazabicyclo[5.4.0]undec-7-ene; In tetrahydrofuran; at 20 - 25 ℃; for 48h; Reagent/catalyst; Solvent;

Reference yield: 72.0%

N-allyl-N-methylaniline (6628-07-5) + m-trifluoromethylphenyl iodide (401-81-0) → 3-(3-(trifluoromethyl)phenyl)acrylaldehyde (871543-59-8)

Guidance literature:

With tetrabutylammomium bromide; sodium acetate; palladium diacetate; triphenylphosphine; In N,N-dimethyl-formamide; at 120 ℃; for 6h; in air;

DOI:10.1039/b917782e

upstream raw materials:

3-trifluoromethylaniline

acrolein

N-allyl-N-methylaniline

m-trifluoromethylphenyl iodide

Downstream raw materials:

2-amino-5-(3-trifluoromethylbenzyl)-1,3-thiazole

Refernces

• 1、 -. "Method for preparing olefine aldehyde by catalyzing terminal alkyne or terminal conjugated eneyne and diphosphine ligand used in method". Paragraph 0146-0148. . Retrieved 2021/05/29.
• 2、 Ni, Shuaishuai,Li, Baoli,Chen, Feifei,Wei, Hanwen,Mao, Fei,Liu, Yifu,Xu, Yixiang,Qiu, Xiaoxi,Li, Xiaokang,Liu, Wenwen,Hu, Linghao,Ling, Dazheng,Wang, Manjiong,Zheng, Xinyu,Zhu, Jin,Lan, Lefu,Li, Jian. "Novel Staphyloxanthin Inhibitors with Improved Potency against Multidrug Resistant Staphylococcus aureus". . p. 233 - 237. Retrieved 2018/03/21.