Ethyl 2-chloroacetimidate hydrochloride

Base Information

• Chemical Name: Ethyl 2-chloroacetimidate hydrochloride
• CAS No.: 36743-66-5
• Molecular Formula: C4H9Cl2NO
• Molecular Weight: 158.028
• Hs Code.: 2925290090
• European Community (EC) Number: 632-670-0
• NSC Number: 39460
• Wikidata: Q72473473
• Mol file: 36743-66-5.mol

Synonyms:36743-66-5;Ethyl 2-chloroacetimidate hydrochloride;ETHYL 2-CHLOROETHANIMIDOATE HYDROCHLORIDE;ethyl 2-chloroethanimidate;hydrochloride;Ethyl 2-chloro-acetimidate HCl;MFCD10697958;ETHYL 2-CHLOROETHANECARBOXIMIDATE HYDROCHLORIDE;ETHYL 2-CHLOROETHANIMIDATE HYDROCHLORIDE;ETHANIMIDIC ACID, 2-CHLORO-, ETHYL ESTER, HYDROCHLORIDE;ETHYL 2-CHLORO ACETIMIDATE HYDROCHLORIDE;2-Chloroethanimidic acid ethyl ester hydrochloride;ethyl chloroacetimidate hydrochloride;2-chloro-acetimidic acid ethyl ester hydrochloride;SCHEMBL310897;BGWMHFKCAUBYJJ-UHFFFAOYSA-N;NSC39460;Ethyl2-chloroacetimidatehydrochloride;AC8745;ethyl chloroacetoimidate hydrochloride;NSC-39460;ethyl chloro-acetimidate hydrochloride;AKOS027445426;ethyl-2-chloroacetimidate hydrochloride;AB60917;ethyl 2-chloro-acetimidate hydrochloride;SY026914;ethyl 2-chloroethanimidate monohydrochloride;CS-0208478;FT-0717345;EN300-211478;2-chloroacetimidic acid ethyl ester hydrochloride salt;Ethyl 2-chloroethanimidoate hydrochloride, tech grade

Chemical Property of Ethyl 2-chloroacetimidate hydrochloride

Chemical Property:

• Vapor Pressure: 2.07mmHg at 25°C
• Melting Point: 89℃
• Boiling Point: 160.7 °C at 760 mmHg
• Flash Point: 51 °C
• PSA: 33.08000
• Density: 1.12 g/cm³
• LogP: 2.14070
• Storage Temp.: Inert atmosphere,Store in freezer, under -20°C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 157.0061193
• Heavy Atom Count: 8
• Complexity: 64.7

Purity/Quality:

99%, ^*data from raw suppliers

Ethyl Chloroacetimidate Hydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=N)CCl.Cl
• Uses: Ethyl Chloroacetimidate Hydrochloride is an intermediate in the synthesis of f Phentolamine-d4 Hydrochloride A labelled Phentolamine (P302550) which is an adrenergic blocking agent. An antihypertensive. Used for the treatment of pheochromocytoma.

Technology Process of Ethyl 2-chloroacetimidate hydrochloride

There total 3 articles about Ethyl 2-chloroacetimidate hydrochloride 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: 97.0%

ethanol (64-17-5) + chloroacetonitrile (107-14-2) → ethyl chloroacetimidate hydrochloride (36743-66-5)

Guidance literature:

With hydrogenchloride; In diethyl ether; at 0 ℃; for 0.5h;

DOI:10.1021/jm00161a025

Reference yield:

chloroacetonitrile (107-14-2) → ethyl chloroacetimidate hydrochloride (36743-66-5)

Guidance literature:

With hydrogenchloride; ethanol;

Reference yield:

→ ethyl chloroacetimidate hydrochloride (36743-66-5)

Guidance literature:

upstream raw materials:

ethanol

chloroacetonitrile

Downstream raw materials:

3-(chloromethyl)-1H-1,2,4-triazol-5(4H)-one

2-chloromethyl-1-methyl-1H-benzimidazole

2-(chloromethyl)-5-nitro-1H-benzo[d]imidazole

6-chloro-2-(chloromethyl)benzo[d]oxazole

Refernces

• 1、 Yun, Wang,Shougang, Hu,Fast, Walter. "A click chemistry mediated in vivo activity probe for dimethylarginine dimethylaminohydrolase". . p. 15096 - 15097. Retrieved 2009.
• 2、 Burstein-Teitelbaum, Gayle,Er, Joyce A.V.,Monzingo, Arthur F.,Tuley, Alfred,Fast, Walter. "Dissection, Optimization, and Structural Analysis of a Covalent Irreversible DDAH1 Inhibitor". . p. 4574 - 4582. Retrieved 2018.
• 3、 -. "Synthetic method of 3-chloromethyl-1,2,4-triazolin-5-one". Paragraph 0019; 0020. . Retrieved 2019/04/26.