Ethyl 2-(((benzyloxy)carbonyl)amino)acetimidate hydrochloride

Base Information

• Chemical Name: Ethyl 2-(((benzyloxy)carbonyl)amino)acetimidate hydrochloride
• CAS No.: 51030-44-5
• Molecular Formula: C12H17ClN2O3
• Molecular Weight: 272.732
• DSSTox Substance ID: DTXSID80574451
• Mol file: 51030-44-5.mol

Synonyms:51030-44-5;Ethyl 2-(((benzyloxy)carbonyl)amino)acetimidate hydrochloride;ethyl 2-(phenylmethoxycarbonylamino)ethanimidate;hydrochloride;2-benzyloxycarbonylamino-acetimidic acid ethyl ester hydrochloride;2-BENZYLOXYCARBONYLAMINO-ACETIMIDIC ACID ETHYL ESTER, HYDROCHLORIDE;SCHEMBL4758471;DTXSID80574451;BCA03044;MFCD08458238;AKOS015962499;DS-4573;A918460;Ethyl2-(((benzyloxy)carbonyl)amino)acetimidatehydrochloride;2-Benzyloxycarbonylamino-acetimidic acid ethyl ester,hydrochloride;Ethyl 2-{[(benzyloxy)carbonyl]amino}ethanimidate--hydrogen chloride (1/1)

Chemical Property of Ethyl 2-(((benzyloxy)carbonyl)amino)acetimidate hydrochloride

Chemical Property:

• Refractive Index: 1.524
• PSA: 71.41000
• Density: 1.13g/cm³
• LogP: 3.21920
• Storage Temp.: Inert atmosphere,Room Temperature
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 272.0927701
• Heavy Atom Count: 18
• Complexity: 250

Purity/Quality:

97% ^*data from raw suppliers

Ethyl2-(((benzyloxy)carbonyl)amino)acetimidatehydrochloride 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=N)CNC(=O)OCC1=CC=CC=C1.Cl

Technology Process of Ethyl 2-(((benzyloxy)carbonyl)amino)acetimidate hydrochloride

There total 3 articles about Ethyl 2-(((benzyloxy)carbonyl)amino)acetimidate 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:

benzyl chloroformate (501-53-1,94274-21-2) → ethyl 2-benzyloxycarbonylaminoacetimidate hydrochloride (51030-44-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 50 percent / sodium hydrogencarbonate, 2M sodium hydroxide / H₂O / 3 h

2: 93 percent / hydrogen chloride / diethyl ether / 2 h / 0 °C

With hydrogenchloride; sodium hydroxide; sodium hydrogencarbonate; In diethyl ether; water;

DOI:10.1039/P19800002316

Reference yield:

phenylmethyl cyanomethylcarbamate (3589-41-1) → ethyl 2-benzyloxycarbonylaminoacetimidate hydrochloride (51030-44-5)

Guidance literature:

With hydrogenchloride; diethyl ether; ethanol;

Reference yield:

2-aminoacetonitrile hydrochloride (6011-14-9) + benzyl chloroformate (501-53-1,94274-21-2) + acetyl chloride (75-36-5) → ethyl 2-benzyloxycarbonylaminoacetimidate hydrochloride (51030-44-5)

Guidance literature:

With sodium hydroxide; Yield given. Multistep reaction; 2.) EtOH;

DOI:10.1016/S0040-4039(00)60152-1

upstream raw materials:

phenylmethyl cyanomethylcarbamate

2-aminoacetonitrile hydrochloride

benzyl chloroformate

acetyl chloride

Downstream raw materials:

(1H-benzoimidazol-2-ylmethyl)-carbamic acid benzyl ester

2-Amino-2'-(benzyloxy-carbonyl-glycyl-amino)-biphenyl

N--N'--hydrazin

N--N'--hydrazin

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