Benzaldehyde, 4-(trifluoromethyl)-, oxime

Base Information

• Chemical Name: Benzaldehyde, 4-(trifluoromethyl)-, oxime
• CAS No.: 66046-34-2
• Molecular Formula: C8H6F3NO
• Molecular Weight: 189.137
• DSSTox Substance ID: DTXSID90388889
• Mol file: 66046-34-2.mol

Synonyms:Benzaldehyde, 4-(trifluoromethyl)-, oxime;N-[[4-(trifluoromethyl)phenyl]methylidene]hydroxylamine;66046-34-2;4-trifluoromethyl-benzaldehyde oxime;4-(Trifluoromethyl)benzaldehyde oxime;DTXSID90388889;p-trifluoromethylbenzaldehyde oxime;4-trifluoromethylbenzaldehyde oxime;AKOS017263763

Chemical Property of Benzaldehyde, 4-(trifluoromethyl)-, oxime

Chemical Property:

• Vapor Pressure: 0.155mmHg at 25°C
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 189.04014830
• Heavy Atom Count: 13
• Complexity: 182

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C=NO)C(F)(F)F

Technology Process of Benzaldehyde, 4-(trifluoromethyl)-, oxime

There total 8 articles about Benzaldehyde, 4-(trifluoromethyl)-, oxime 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: 99.0%

→ (E)-4-(trifluoromethyl)benzaldoxime (16939-49-4,24652-60-6,66046-34-2)

Guidance literature:

With iron(II) perchlorate hexahydrate; ethyl acetohydroximate; In dichloromethane; at 20 ℃; for 24h; Reagent/catalyst; Solvent; Inert atmosphere;

Reference yield: 94.0%

4-Trifluoromethylbenzaldehyde (455-19-6) → (E)-4-(trifluoromethyl)benzaldoxime (16939-49-4,24652-60-6,66046-34-2)

Guidance literature:

With N-hydroxyphthalimide; In water; at 90 ℃; for 3h; Sealed tube;

DOI:10.1016/j.tet.2018.08.013

Reference yield: 92.0%

4-Trifluoromethylbenzaldehyde (455-19-6) + ethyl methyl ketone oxime (96-29-7) → (E)-4-(trifluoromethyl)benzaldoxime (16939-49-4,24652-60-6,66046-34-2)

Guidance literature:

With perchloric acid; In water; at 23 ℃; for 24h; Reagent/catalyst; Inert atmosphere; Green chemistry;

DOI:10.1039/c6gc02156e

upstream raw materials:

p-trifluoromethylphenyl bromide

N,N-dimethyl-formamide

4-(trifluoromethyl)benzylic alcohol

4-Trifluoromethylbenzaldehyde

Downstream raw materials:

2-(2-methoxycarbonylethyl)-3-(p-trifluoromethylphenyl)-5-methoxycarbonylisoxazolidine

2-(2-methoxycarbonylethyl)-3-(p-trifluoromethylphenyl)-4-methoxycarbonylisoxazolidine

2-(2-methoxycarbonylethyl)-3-(p-trifluoromethylphenyl)-4-methoxycarbonylisoxazolidine

4-Trifluoromethylbenzaldehyde

Refernces

• 1、 Bhatt, Shreeja V.,Bhatt, Shreya V.,Fotie, Jean. "Pt-catalyzed O-silylation of oximes by tri-substituted organosilanes". supporting information. p. 1636 - 1639. Retrieved 2019/06/04.
• 2、 Jiang, Xiaoying,Xu, Xiaohe,Lin, Yuyan,Yan, Yiyan,Li, Pingping,Bai, Renren,Xie, Yuanyuan. "A mild system for synthesis of aldoximes and ketoximes in the presence of N-hydroxyphthalimide in aqueous system". supporting information. p. 5879 - 5885. Retrieved 2018/09/06.