Ethanimidic acid, 2,2,2-trifluoro-, (4-methoxyphenyl)methyl ester

Base Information

Chemical Name:Ethanimidic acid, 2,2,2-trifluoro-, (4-methoxyphenyl)methyl ester
CAS No.:212051-17-7
Molecular Formula:C10H10F3NO2
Molecular Weight:233.19
Hs Code.:
DSSTox Substance ID:DTXSID00462684
Nikkaji Number:J981.467A
Wikidata:Q82287255
Mol file:212051-17-7.mol

Synonyms:212051-17-7;Ethanimidic acid, 2,2,2-trifluoro-, (4-methoxyphenyl)methyl ester;4-methoxybenzyl 2,2,2-trifluoroacetimidate;SCHEMBL1828939;DTXSID00462684;JVYROYVBWZNSOY-UHFFFAOYSA-N;4-methoxybenzyl2,2,2-trifluoroacetimidate

Suppliers and Price of Ethanimidic acid, 2,2,2-trifluoro-, (4-methoxyphenyl)methyl ester

Supply Marketing:

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

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Chemical Property of Ethanimidic acid, 2,2,2-trifluoro-, (4-methoxyphenyl)methyl ester

Chemical Property:

Boiling Point:217.8±50.0 °C(Predicted)
PSA：42.31000
Density:1.23±0.1 g/cm3(Predicted)
LogP:2.85110
XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:233.06636305
Heavy Atom Count:16
Complexity:235

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC1=CC=C(C=C1)COC(=N)C(F)(F)F

Technology Process of Ethanimidic acid, 2,2,2-trifluoro-, (4-methoxyphenyl)methyl ester

There total 3 articles about Ethanimidic acid, 2,2,2-trifluoro-, (4-methoxyphenyl)methyl ester 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: 85.0%

: 545-06-2
trichloroacetonitrile

: 105-13-5
4-Methoxybenzyl alcohol

: 212051-17-7
4-methoxybenzyl 2,2,2-trifluoroacetimidate

Guidance literature:: 4-Methoxybenzyl alcohol; With sodium hydride; In diethyl ether; mineral oil; at 20 ℃; for 0.5h; Inert atmosphere;

trichloroacetonitrile; In diethyl ether; mineral oil; at 0 - 20 ℃; for 16h; Inert atmosphere;
DOI:10.1016/j.tet.2020.131743

Reference yield:

: 353-85-5
trifluoroacetonitrile

: 105-13-5
4-Methoxybenzyl alcohol

: 212051-17-7
4-methoxybenzyl 2,2,2-trifluoroacetimidate

Guidance literature:: With 1,8-diazabicyclo[5.4.0]undec-7-ene; In dichloromethane; at -78 - 20 ℃; for 10.25h;
DOI:10.1016/S0040-4020(02)00304-6

Reference yield:

: 354-38-1
2,2,2-trifluoroacetamide

: 105-13-5
4-Methoxybenzyl alcohol

: 212051-17-7
4-methoxybenzyl 2,2,2-trifluoroacetimidate

Guidance literature:: With oxalyl dichloride; 1,8-diazabicyclo[5.4.0]undec-7-ene; triethylamine; Yield given. Multistep reaction; 1.) CH2Cl2, -78 deg C, 30 min; 2.) CH2Cl2, -78 deg C, 15 min, then --> room temp., 10 h;
DOI:10.1016/S0040-4039(98)01121-6