N-(2-Hydroxyethyl)-4-methylpiperazine-1-carboxamide

Base Information

• Chemical Name: N-(2-Hydroxyethyl)-4-methylpiperazine-1-carboxamide
• CAS No.: 116818-76-9
• Molecular Formula: C₈H₁₇N₃O₂
• Molecular Weight: 187.242
• DSSTox Substance ID: DTXSID30555598
• Wikidata: Q82436994
• Mol file: 116818-76-9.mol

Synonyms:116818-76-9;N-(2-HYDROXYETHYL)-4-METHYLPIPERAZINE-1-CARBOXAMIDE;1-Piperazinecarboxamide,N-(2-hydroxyethyl)-4-methyl-(9CI);SCHEMBL4578439;DTXSID30555598

Chemical Property of N-(2-Hydroxyethyl)-4-methylpiperazine-1-carboxamide

Chemical Property:

• PSA: 59.30000
• LogP: -0.98410
• XLogP3: -1.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 187.132076794
• Heavy Atom Count: 13
• Complexity: 167

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCN(CC1)C(=O)NCCO

Technology Process of N-(2-Hydroxyethyl)-4-methylpiperazine-1-carboxamide

There total 2 articles about N-(2-Hydroxyethyl)-4-methylpiperazine-1-carboxamide 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: 66.0%

4-methylpiperazine-1-carbonyl chloride monohydrochloride (55112-42-0) + ethanolamine (141-43-5) → 1-methyl-4-(2-hydroxyethylamino)carbonylpiperazine (116818-76-9)

Guidance literature:

With triethylamine; In methanol; benzene; Heating;

Reference yield:

1-methyl-piperazine (109-01-3) → 1-methyl-4-(2-hydroxyethylamino)carbonylpiperazine (116818-76-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 75.75 percent / CHCl₃ / 1. 2 h, ice bath, 2. r.t., 2 h

2: 66 percent / Et₃N / methanol; benzene / Heating

With triethylamine; In methanol; chloroform; benzene;

upstream raw materials:

4-methylpiperazine-1-carbonyl chloride monohydrochloride

ethanolamine

1-methyl-piperazine