Diethyl [o-(trifluoromethyl)benzyl]malonate

Base Information

Chemical Name:Diethyl [o-(trifluoromethyl)benzyl]malonate
CAS No.:29805-53-6
Molecular Formula:C₁₅H₁₇F₃O₄
Molecular Weight:318.293
Hs Code.:
DSSTox Substance ID:DTXSID601179496

Synonyms:diethyl [o-(trifluoromethyl)benzyl]malonate;SCHEMBL9054494;DTXSID601179496;1,3-Diethyl 2-[[2-(trifluoromethyl)phenyl]methyl]propanedioate;29805-53-6

Suppliers and Price of Diethyl [o-(trifluoromethyl)benzyl]malonate

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Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of Diethyl [o-(trifluoromethyl)benzyl]malonate

Chemical Property:

XLogP3:3.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:8
Exact Mass:318.10789351
Heavy Atom Count:22
Complexity:364

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCOC(=O)C(CC1=CC=CC=C1C(F)(F)F)C(=O)OCC

Technology Process of Diethyl [o-(trifluoromethyl)benzyl]malonate

There total 3 articles about Diethyl [o-(trifluoromethyl)benzyl]malonate 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:

: 395-44-8
o-trifluoromethylbenzyl bromide

: 105-53-3
diethyl malonate

: 29805-53-6
diethyl [o-(trifluoromethyl)benzyl]malonate

Guidance literature:: With sodium ethanolate; SiO₂; In ethanol; ethyl acetate;

Reference yield:

: 433-97-6
2-trifluoromethylbenzoic acid

: 29805-53-6
diethyl [o-(trifluoromethyl)benzyl]malonate

Guidance literature:: Multi-step reaction with 2 steps

1: (i) LiAlH₄, (ii) SOCl₂

2: (i) NaH, DMSO, (ii) /BRN= 389380/

DOI:10.1021/jm00299a007