Ethyl 3-amino-3-iminopropanoate hydrochloride

Base Information

• Chemical Name: Ethyl 3-amino-3-iminopropanoate hydrochloride
• CAS No.: 57508-48-2
• Molecular Formula: C5H10N2O2^.HCl
• Molecular Weight: 166.608
• Hs Code.: 2925290090
• European Community (EC) Number: 846-101-0
• DSSTox Substance ID: DTXSID80574052
• Mol file: 57508-48-2.mol

Synonyms:57508-48-2;ethyl 3-amino-3-iminopropanoate hydrochloride;ETHYL 2-AMIDINOACETATE HYDROCHLORIDE;3-Amino-3-iminopropanoic acid ethyl ester hydrochloride;3-Amino-3-imino-propanoic acid, ethyl ester HCl;Carbamimidoyl-acetic acid ethyl ester hydrochloride;ethyl 3-amino-3-iminopropanoate;hydrochloride;MFCD06797615;Ethyl 2-Carbamimidoylacetate Hydrochloride;3-amino-3-iminopropanoic acid ethyl ester hcl;ethyl 3-amino-3-imino-propanoate hydrochloride;3-Amino-3-imino-propanoicacid,ethylesterHCl;Ethyl2-AmidinoacetateHydrochloride;Propanoic acid, 3-amino-3-imino-, ethyl ester, monohydrochloride;ETHYL 3-AMINO-3-IMINOPROPANATE HYDROCHLORIDE;SCHEMBL1559573;3-Amino-3-imino-propanoic acid ethyl ester hydrochloride;ethyl amidinoacetate hydrochloride;carbethoxyacetamidine hydrochloride;DTXSID80574052;VOHFLYOSVGWQOS-UHFFFAOYSA-N;ETHYL 2-AMIDINOACETATE HCL;AMY16018;AR2171;AKOS015845444;AB29705;CS-W003345;GS-3860;SY003198;ETHYL 3-AMINO-3-IMINOPROPANOATE HCL;ethyl 3-amino-3-iminopropionoate hydrochloride;2-amidino-acetic acid ethyl ester hydrochloride;EN300-206199;2-amidino-acetic acid ethyl ester hydro-chloride;carbamimidoylacetic acid ethyl ester hydrochloride;Carbamimidoyl-acetic acid ethyl ester;J-520842;3-Amino-3-imino-propanoic acid, ethyl ester hydrochloride;Ethyl 3-amino-3-iminopropanoate--hydrogen chloride (1/1);3-AMINO-3-IMINOPROPIONIC ACID ETHYL ESTER HYDROCHLORIDE

Chemical Property of Ethyl 3-amino-3-iminopropanoate hydrochloride

Chemical Property:

• Vapor Pressure: 0.386mmHg at 25°C
• Melting Point: 105-108℃
• Boiling Point: 237.9 °C at 760 mmHg
• Flash Point: 97.7 °C
• PSA: 76.17000
• LogP: 1.47760
• Storage Temp.: Inert atmosphere,Room Temperature
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 166.0509053
• Heavy Atom Count: 10
• Complexity: 122

Purity/Quality:

99% ^*data from raw suppliers

3-Amino-3-imino-propanoicacid,ethylesterhydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CC(=N)N.Cl
• Uses: It is used as a pharmaceutical intermediate.

Technology Process of Ethyl 3-amino-3-iminopropanoate hydrochloride

There total 6 articles about Ethyl 3-amino-3-iminopropanoate 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: 78.0%

Ethyl 3-ethoxy-3-iminopropionate (27317-59-5) → carbethoxyacetamidine hydrochloride (57508-48-2)

Guidance literature:

With ammonium chloride; In ethanol; at 120 ℃; for 1h; Microwave irradiation;

DOI:10.1055/s-0035-1561941

Reference yield:

methanol (67-56-1) + ethyl amidinoacetate (50551-10-5) → carbethoxyacetamidine hydrochloride (57508-48-2) + amidino-acetic acid methyl ester hydrochloride (103173-54-2)

Guidance literature:

With hydrogenchloride; In diethyl ether;

DOI:10.1016/j.tet.2008.11.064

Reference yield:

→ carbethoxyacetamidine hydrochloride (57508-48-2)

Guidance literature:

With ethanol; ammonia; anschliessendes Behandeln mit Chlorwasserstoff enthaltendem Aethanol;

DOI:10.1111/0002-9092.00173

upstream raw materials:

Ethyl 3-ethoxy-3-iminopropionate

ethyl 3-ethoxy-3-iminopropanoate hydrochloride

ethyl 2-cyanoacetate

methanol

Downstream raw materials:

2-Amino-3-ethoxycarbonyl-4-methyl-5-phenylpyrrole

ethyl 2-amino-5-(4-(methoxycarbonyl)phenyl)-1H-pyrrole-3-carboxylate

2-amino-3-ethoxycarbonyl-5-(4-nitro-phenyl)-pyrrole

ethyl 2-(5-phenylmethoxypyrimidin-2-yl)acetate

Refernces

• 1、 Roopashree, Rangaswamy,Swaroop, Toreshettahally Ramesh,Jagadish, Swamy,Mohan, Chakrabhavi Dhananjaya,Rangappa, Kanchugarakoppal Subbegowda. "Synthesis and cholinesterase inhibition activity of new pyrrolopyrimidine derivatives". . p. 1143 - 1148. Retrieved 2015/03/31.
• 2、 Morgentin, Rémy,Jung, Frédéric,Lamorlette, Maryannick,Maudet, Micka?l,Ménard, Morgan,Plé, Patrick,Pasquet, Georges,Renaud, Fabrice. "An efficient large-scale synthesis of alkyl 5-hydroxy-pyridin- and pyrimidin-2-yl acetate". experimental part. p. 757 - 764. Retrieved 2009/04/07.