Methyl 2,2,2-trichloroacetimidate

Base Information

• Chemical Name: Methyl 2,2,2-trichloroacetimidate
• CAS No.: 2533-69-9
• Molecular Formula: C3H4Cl3NO
• Molecular Weight: 176.43
• Hs Code.: 29252900
• European Community (EC) Number: 219-796-8
• NSC Number: 306728
• DSSTox Substance ID: DTXSID501236770
• Nikkaji Number: J192.023E
• Mol file: 2533-69-9.mol

Synonyms:Methyl 2,2,2-trichloroacetimidate;2533-69-9;methyl 2,2,2-trichloroethanimidate;C3H4Cl3NO;MFCD00001759;Ethanimidic acid, 2,2,2-trichloro-, methyl ester;METHYL TRICHLOROACETIMIDATE;Methyl-2.2.2-trichloroacetimidate;EINECS 219-796-8;methyl 2,2,2-trichloroethanimidoate;methyl-2,2,2-trichloroacetimidate;NSC306728;methyltrichloroacetimidate;methyl trichloroacetoimidate;AMY787;SCHEMBL1071106;Methyl2,2,2-trichloroacetimidate;DTXSID501236770;Trichloroacetimidic acid methyl ester;methyl 2,2,2-trichloroethaneimidoate;AB00153;CS-W009179;DS-3703;NSC 306728;NSC-306728;Methyl 2,2,2-trichloroacetimidate, 98%;SY045486;2,2,2-Trichloroacetimidic acid methyl ester;FT-0628399;2,2,2-trichloro-acetimidic acid methyl ester;EN300-50871;(2,2,2-trichloro-1-methoxy-ethylidene)azanide;A817795;J-640299;J-800303

Chemical Property of Methyl 2,2,2-trichloroacetimidate

Chemical Property:

• Vapor Pressure: 5.34mmHg at 25°C
• Melting Point: -30 °C
• Refractive Index: n20/D 1.478(lit.)
• Boiling Point: 148.5 °C at 760 mmHg
• PKA: 2.22±0.70(Predicted)
• Flash Point: 73.9 °C
• PSA: 33.08000
• Density: 1.51 g/cm³
• LogP: 2.08000
• Storage Temp.: 0-6°C
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 174.935847
• Heavy Atom Count: 8
• Complexity: 97.2

Purity/Quality:

99.0% ^*data from raw suppliers

Methyl 2,2,2-trichloroacetimidate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: COC(=N)C(Cl)(Cl)Cl
• Uses: Methyl 2,2,2-trichloroacetimidate was used as starting material during the synthesis of novel bibenzimidazole oligomers and polymers. It was employed as reagent during the synthesis of 2,2′-bisbenzimidazole-5,5′-dicarboxylic acid.

Technology Process of Methyl 2,2,2-trichloroacetimidate

There total 5 articles about Methyl 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: 82.3%

sodium methylate (124-41-4) + trichloroacetonitrile (545-06-2) → tetramethoxymethane (1850-14-2) + methyl 2,2,2-trichloroacetimidate (2533-69-9)

Guidance literature:

In diethyl ether; for 3h; Heating;

Reference yield: 66.0%

sodium methylate (124-41-4) + trichloroacetonitrile (545-06-2) → methyl 2,2,2-trichloroacetimidate (2533-69-9)

Guidance literature:

In methanol; diethyl ether; for 1h; Ambient temperature;

Reference yield: 33.0%

trichloroacetonitrile (545-06-2) → methyl 2,2,2-trichloroacetimidate (2533-69-9)

Guidance literature:

With manganese(II) acetate; In methanol; at 20 ℃; for 48h; different trichloroacetonitrile concentration, other products;

upstream raw materials:

methanol

trichloroacetonitrile

sodium methylate

Downstream raw materials:

2,2,2-trichloro-N-phenylacetimidamide

Methyl formate

trichloroacetamide

phosphoric acid methyl ester diphenyl ester

Refernces

• 1、 Schwoebel, Alfred,Lux, Rudolf,Kresze, Guenter. "VERSUCHE ZUR DARSTELLUNG VON α-CHLOR-N-SULFINYLAMINEN". . p. 1 - 4. Retrieved 2007/10/02.
• 2、 Kantlehner, Willi,Maier, Thomas,Kapassakalidis, Joannis J.. "Orthoamides, XXXV. - Preparation of O,N-Functional Trisubstituted Acetonitriles". . p. 70 - 84. Retrieved 2007/10/02.