N,N,3-Trimethylpiperazine-1-carboxamide

Base Information

• Chemical Name: N,N,3-Trimethylpiperazine-1-carboxamide
• CAS No.: 114649-92-2
• Molecular Formula: C₈H₁₇N₃O
• Molecular Weight: 171.242
• DSSTox Substance ID: DTXSID10555733
• Mol file: 114649-92-2.mol

Synonyms:N,N,3-TRIMETHYLPIPERAZINE-1-CARBOXAMIDE;114649-92-2;1-Piperazinecarboxamide,N,N,3-trimethyl-(9CI);DTXSID10555733;AKOS017514373

Chemical Property of N,N,3-Trimethylpiperazine-1-carboxamide

Chemical Property:

• PSA: 35.58000
• LogP: 0.22840
• XLogP3: -0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 171.137162174
• Heavy Atom Count: 12
• Complexity: 170

Purity/Quality:

N,N,3-trimethyl-1-Piperazinecarboxamide 97.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CN(CCN1)C(=O)N(C)C

Technology Process of N,N,3-Trimethylpiperazine-1-carboxamide

There total 4 articles about N,N,3-Trimethylpiperazine-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: 68.0%

4-Benzyl-3-methyl-piperazine-1-carboxylic acid dimethylamide (114649-90-0) → 3-Methyl-piperazine-1-carboxylic acid dimethylamide (114649-92-2)

Guidance literature:

With hydrogen; palladium on activated charcoal; In acetic acid; under 1838.8 Torr;

Reference yield:

3-methylpiperazin-2-one (23936-11-0) → 3-Methyl-piperazine-1-carboxylic acid dimethylamide (114649-92-2)

Guidance literature:

Multi-step reaction with 4 steps

1: 60 percent / methanol / 24 h / Heating

2: 70 percent / lithium aluminium hydride / tetrahydrofuran / 72 h / Heating

3: 60 percent / triethylamine / benzene / Heating

4: 68 percent / hydrogen / 10percent Pd-C / acetic acid / 1838.8 Torr

With lithium aluminium tetrahydride; hydrogen; triethylamine; palladium on activated charcoal; In tetrahydrofuran; methanol; acetic acid; benzene;

Reference yield:

1-benzyl-2-methylpiperazine (29906-54-5) → 3-Methyl-piperazine-1-carboxylic acid dimethylamide (114649-92-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 60 percent / triethylamine / benzene / Heating

2: 68 percent / hydrogen / 10percent Pd-C / acetic acid / 1838.8 Torr

With hydrogen; triethylamine; palladium on activated charcoal; In acetic acid; benzene;

upstream raw materials:

4-Benzyl-3-methyl-piperazine-1-carboxylic acid dimethylamide

3-methylpiperazin-2-one

1-benzyl-2-methylpiperazine

1-benzyl-2-methylpiperazin-3-one

Downstream raw materials:

1,2-dimethyl-4-(N,N-dimethylcarbamoyl) piperazine

Refernces