N-methylpiperazine-1-carboxamide

Base Information

• Chemical Name: N-methylpiperazine-1-carboxamide
• CAS No.: 163361-25-9
• Molecular Formula: C6H13 N3 O
• Molecular Weight: 143.19
• European Community (EC) Number: 872-321-1
• ChEMBL ID: CHEMBL4561631
• DSSTox Substance ID: DTXSID50470370
• Nikkaji Number: J2.339.473A
• Wikidata: Q82298439
• Mol file: 163361-25-9.mol

Synonyms:N-methylpiperazine-1-carboxamide;163361-25-9;N-methyl-1-Piperazinecarboxamide;1-Piperazinecarboxamide,N-methyl-(9CI);1-Piperazinecarboxamide, N-methyl-;piperazine-1-carboxylic acid methylamide;N-methyl-piperazinamide;SCHEMBL5257;CHEMBL4561631;DTXSID50470370;HPYONZVIPMACEZ-UHFFFAOYSA-N;AKOS006351724;AT22986;FT-0709354;EN300-147628;A1-10496

Chemical Property of N-methylpiperazine-1-carboxamide

Chemical Property:

• Boiling Point: 347.0±31.0 °C(Predicted)
• PKA: 14.39±0.20(Predicted)
• PSA: 47.86000
• Density: 1.071±0.06 g/cm3(Predicted)
• LogP: -0.29790
• XLogP3: -1.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 143.105862047
• Heavy Atom Count: 10
• Complexity: 120

Purity/Quality:

98%min ^*data from raw suppliers

N-methylpiperazine-1-carboxamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNC(=O)N1CCNCC1

Technology Process of N-methylpiperazine-1-carboxamide

There total 1 articles about N-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: 99.0%

4-benzylpiperazine-1-carboxylic acid methylamide (652156-53-1) → N-methyl-1-piperazinecarboxamide (163361-25-9)

Guidance literature:

With hydrogen; palladium 10% on activated carbon; In tetrahydrofuran; ethanol; under 760.051 Torr;

Reference yield:

2-(R)-(4-fluoro-2-methyl-phenyl)-3-(R)-formyl-pyrrolidine-1-carboxylic acid [1-(R)-(3,5-bis-trifluoromethyl-phenyl)-ethyl]-methyl-amide (815631-33-5) + N-methyl-1-piperazinecarboxamide (163361-25-9) → C2HF3O2*C30H36F7N5O2

Guidance literature:

2-(R)-(4-fluoro-2-methyl-phenyl)-3-(R)-formyl-pyrrolidine-1-carboxylic acid [1-(R)-(3,5-bis-trifluoromethyl-phenyl)-ethyl]-methyl-amide; N-methyl-1-piperazinecarboxamide; In tetrahydrofuran; at 20 ℃; for 16h;

With sodium tris(acetoxy)borohydride; In tetrahydrofuran; for 5h;

Reference yield:

(2R)-6-(tert-butoxycarbonylamino)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-(tert-butoxycarbonylamino)-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]hexanoic acid (1024829-76-2) + N-methyl-1-piperazinecarboxamide (163361-25-9) → C46H70N8O9

Guidance literature:

(2R)-6-(tert-butoxycarbonylamino)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-(tert-butoxycarbonylamino)-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]hexanoic acid; With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In N,N-dimethyl-formamide; at 0 ℃; for 0.5h; Inert atmosphere;

N-methyl-1-piperazinecarboxamide; With 4-methyl-morpholine; In N,N-dimethyl-formamide; at 0 ℃; for 2h; Inert atmosphere;

upstream raw materials:

4-benzylpiperazine-1-carboxylic acid methylamide

Refernces