1-Pyrrolidineethanimidamide, N-(2-(3,4-dimethoxyphenyl)ethyl)-2-oxo-, monohydrochloride

Base Information

• Chemical Name: 1-Pyrrolidineethanimidamide, N-(2-(3,4-dimethoxyphenyl)ethyl)-2-oxo-, monohydrochloride
• CAS No.: 92884-71-4
• Molecular Formula: C₁₆H₂₃N₃O₃*ClH
• Molecular Weight: 341.838
• DSSTox Substance ID: DTXSID00239171
• Mol file: 92884-71-4.mol

Synonyms:N-(3,4-Dimethoxyphenylethyl)-alpha-(pyrrolid-2-on-1-yl)acetamidine hydrochloride;1-Pyrrolidineethanimidamide, N-(2-(3,4-dimethoxyphenyl)ethyl)-2-oxo-, monohydrochloride;N-(2-(3,4-Dimethoxyphenyl)ethyl)-2-oxo-1-pyrrolidineethanimidamide monohydrochloride;92884-71-4;DTXSID00239171;LS-137770

Chemical Property of 1-Pyrrolidineethanimidamide, N-(2-(3,4-dimethoxyphenyl)ethyl)-2-oxo-, monohydrochloride

Chemical Property:

• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 341.1506193
• Heavy Atom Count: 23
• Complexity: 400

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)CCN=C(CN2CCCC2=O)N)OC.Cl

Technology Process of 1-Pyrrolidineethanimidamide, N-(2-(3,4-dimethoxyphenyl)ethyl)-2-oxo-, monohydrochloride

There total 2 articles about 1-Pyrrolidineethanimidamide, N-(2-(3,4-dimethoxyphenyl)ethyl)-2-oxo-, monohydrochloride 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: 47.0%

2-(3,4-dimethoxyphenyl)-ethylamine (120-20-7) + 2-(2-Oxo-pyrrolidin-1-yl)-acetimidic acid ethyl ester; hydrochloride → N-(3,4-Dimethoxyphenylethyl)-α-(pyrrolid-2-on-1-yl)acetamidine hydrochloride (92884-71-4)

Guidance literature:

for 4h; Ambient temperature;

DOI:10.1007/BF00769803

Reference yield:

nitrile of 2-oxopyrrolidine-1-acetic acid (57275-83-9) → N-(3,4-Dimethoxyphenylethyl)-α-(pyrrolid-2-on-1-yl)acetamidine hydrochloride (92884-71-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 67 percent / HCl / 5 h / 0 - 5 °C

2: 47 percent / 4 h / Ambient temperature

With hydrogenchloride;

DOI:10.1007/BF00769803

upstream raw materials:

2-(3,4-dimethoxyphenyl)-ethylamine

nitrile of 2-oxopyrrolidine-1-acetic acid