Ethyl 2,2,2-trichloroacetimidate

Base Information

• Chemical Name: Ethyl 2,2,2-trichloroacetimidate
• CAS No.: 23213-96-9
• Molecular Formula: C4H6 Cl3 N O
• Molecular Weight: 190.457
• Hs Code.: 2925290090
• European Community (EC) Number: 635-001-0
• DSSTox Substance ID: DTXSID00408547
• Nikkaji Number: J3.354.590H
• Wikidata: Q72477517
• Mol file: 23213-96-9.mol

Synonyms:Ethyl 2,2,2-trichloroacetimidate;23213-96-9;ethyl 2,2,2-trichloroethanimidate;ETHYL2,2,2-TRICHLOROACETIMIDATE;ethyl 2,2,2-trichloroethanecarboximidate;SCHEMBL11755220;AMY3906;DTXSID00408547;ethyl 2, 2, 2-trichloroethanimidate;BS-22080;BB 0220354;CS-0204725;ETHYL 2,2,2-TRICHLOROACETIMIDATE, 98%;Ethanimidic acid, 2,2,2-trichloro-, ethyl ester;J-015036

Chemical Property of Ethyl 2,2,2-trichloroacetimidate

Chemical Property:

• Vapor Pressure: 2.86mmHg at 25°C
• Melting Point: −15 °C(lit.)
• Refractive Index: n20/D 1.469(lit.)
• Boiling Point: 74-75 °C39 mm Hg(lit.)
• Flash Point: 160 °F
• PSA: 33.08000
• Density: 1.331 g/mL at 25 °C(lit.)
• LogP: 2.47010
• Storage Temp.: 2-8°C
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 188.951497
• Heavy Atom Count: 9
• Complexity: 109

Purity/Quality:

98%,99%, ^*data from raw suppliers

Ethyl 2,2,2-trichloroacetimidate 98% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

Useful:

• Canonical SMILES: CCOC(=N)C(Cl)(Cl)Cl
• Uses: Ethyl 2,2,2-trichloroacetimidate may be used in chemical synthesis studies.

Technology Process of Ethyl 2,2,2-trichloroacetimidate

There total 3 articles about Ethyl 2,2,2-trichloroacetimidate 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: 93.0%

ethanol (64-17-5) + trichloroacetonitrile (545-06-2) → ethyl 2,2,2-trichloroacetimidate (23213-96-9)

Guidance literature:

With 1,8-diazabicyclo[5.4.0]undec-7-ene; In dichloromethane; at 20 ℃; for 12h;

DOI:10.1039/c7cc08897c

Reference yield: 5.5%

sodium methylate (124-41-4) + trichloroacetonitrile (545-06-2) → orthocarbonic acid tetraethyl ester (78-09-1) + ethyl 2,2,2-trichloroacetimidate (23213-96-9) + triethoxyacetonitrile (68714-37-4) + Ethyl-triethoxyacetimidat (77388-04-6)

Guidance literature:

In n-heptane; at 94 ℃; for 2h;

Reference yield:

ethanol (64-17-5) + trichloroacetonitrile (545-06-2) + acetone (67-64-1) → ethyl 2,2,2-trichloroacetimidate (23213-96-9)

Guidance literature:

upstream raw materials:

ethanol

trichloroacetonitrile

acetone

sodium methylate

Downstream raw materials:

5-phenyl-2-trichloromethyl-3H-thieno[2,3-d]pyrimidin-4-one

trichloro-acetic acid ethylamide

5-ethylsulfanyl-1-phenyl-1H-tetrazole

2-amino-ethanol hydrochloride

Refernces

• 1、 Petrova, R. G.,Churkina, T. D.,Gasanov, R. G.,Lokshin, B. V.,Freidlina, R. Kh.. "REARRANGEMENT OF RADICALS WITH 1,2-MIGRATION OF CHLORINE DURING PHENYLATION OF ETHYL TRI- AND DICHLOROTHIONOACETATES". . p. 323 - 326. Retrieved 2007/10/02.