(2-Amino-2-iminoethyl)carbamic acid benzyl ester hydrochloride

Base Information

• Chemical Name: (2-Amino-2-iminoethyl)carbamic acid benzyl ester hydrochloride
• CAS No.: 50850-19-6
• Molecular Formula: C10H13 N3 O2 . Cl H
• Molecular Weight: 243.693
• Hs Code.: 2925290090
• DSSTox Substance ID: DTXSID70596723
• Mol file: 50850-19-6.mol

Synonyms:50850-19-6;Benzyl (2-amino-2-iminoethyl)carbamate hydrochloride;(2-AMINO-2-IMINOETHYL)CARBAMIC ACID BENZYL ESTER HYDROCHLORIDE;N-Benzoylcarbonylaminoacetamidine Hydrochloride;benzyl N-(2-amino-2-iminoethyl)carbamate;hydrochloride;BENZYL (2-AMINO-2-IMINOETHYL)CARBAMATE HCL;Carbamicacid,(2-amino-2-iminoethyl)-,phenylmethylester,monohydrochloride;benzyl N-(carbamimidoylmethyl)carbamate hydrochloride;SCHEMBL8564606;benzyl N-(2-amino-2-imino-ethyl)carbamate hydrochloride;DTXSID70596723;VTAFRBUDWDYKSA-UHFFFAOYSA-N;MFCD09752048;AKOS015907625;AB51447;AC-4643;AS-41866;CS-0453151;EN300-335938;A828323;Benzyl(2-amino-2-iminoethyl)carbamatehydrochloride;(2-Amino-2-Iminoethyl)carbamic Acid Benzyl Ester HCl;Z2574936470;BENZYL 2-AMINO-2-IMINOETHYLCARBAMATE HYDROCHLORIDE;Benzyl (2-amino-2-iminoethyl)carbamate--hydrogen chloride (1/1);(2-Amino-2-iminoethyl)phenylmethyl carbamic acidester,monohydrochloride

Chemical Property of (2-Amino-2-iminoethyl)carbamic acid benzyl ester hydrochloride

Chemical Property:

• Vapor Pressure: 4.16E-07mmHg at 25°C
• Melting Point: 75-77°C
• Boiling Point: 409.6°C at 760 mmHg
• Flash Point: 201.5°C
• PSA: 88.20000
• LogP: 2.84170
• Storage Temp.: Hygroscopic, -20?C Freezer, Under Inert Atmosphere
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 243.0774544
• Heavy Atom Count: 16
• Complexity: 225

Purity/Quality:

99% ^*data from raw suppliers

N-BenzoylcarbonylaminoacetamidineHydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)COC(=O)NCC(=N)N.Cl

Technology Process of (2-Amino-2-iminoethyl)carbamic acid benzyl ester hydrochloride

There total 2 articles about (2-Amino-2-iminoethyl)carbamic acid benzyl ester 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%

phenylmethyl cyanomethylcarbamate (3589-41-1) → 2-<(phenylmethoxy)carbonyl>aminoacetamidine hydrochloride (50850-19-6)

Guidance literature:

phenylmethyl cyanomethylcarbamate; With sodium methylate; In methanol; at 20 ℃;

With ammonium chloride; In methanol; at 20 ℃; for 48h; Further stages.;

DOI:10.1016/j.bmcl.2007.06.040

Reference yield:

methyl 2-(((benzyloxy)carbonyl)amino)acetimidate (142065-78-9) → 2-<(phenylmethoxy)carbonyl>aminoacetamidine hydrochloride (50850-19-6)

Guidance literature:

With sodium methylate; ammonium chloride; In methanol; at 20 ℃; for 24h;

Reference yield: 55.0%

2-<(phenylmethoxy)carbonyl>aminoacetamidine hydrochloride (50850-19-6) + 4-oxotetrahydro-2H-pyran-3-carboxylic acid methyl ester (127956-11-0) → benzyl [(4-oxo-4,5,7,8-tetrahydro-3H-pyrano[4,3-d]pyrimidin-2-yl)methyl]carbamate (1418131-84-6)

Guidance literature:

With sodium ethanolate; In ethanol; for 24h; Reflux;

upstream raw materials:

phenylmethyl cyanomethylcarbamate

methyl 2-(((benzyloxy)carbonyl)amino)acetimidate

Downstream raw materials:

Ethyl 2-benzyloxycarbonylaminomethylpyrimidine-5-carboxylate

[5-(dimethylamino-methyleneamino)-pyrimidin-2-ylmethyl]-carbamic acid benzyl ester

2-Benzyloxycarbonylaminomethylpyrimidine-5-carboxylic acid

benzyl [(4-oxo-4,5,7,8-tetrahydro-3H-pyrano[4,3-d]pyrimidin-2-yl)methyl]carbamate