N,N-Diethyl-2-(piperazin-1-yl)acetamide

Base Information

• Chemical Name: N,N-Diethyl-2-(piperazin-1-yl)acetamide
• CAS No.: 40004-14-6
• Molecular Formula: C10H21N3O
• Molecular Weight: 199.29300
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID80427938
• Wikidata: Q82240688
• Mol file: 40004-14-6.mol

Synonyms:40004-14-6;N,N-Diethyl-2-(piperazin-1-yl)acetamide;N,N-diethyl-2-piperazin-1-ylacetamide;N,N-diethyl-2-piperazin-1-yl-acetamide;MFCD07691359;SCHEMBL11608912;DTXSID80427938;FNQIGZCNEFCPID-UHFFFAOYSA-N;AKOS000264327;CS-0452207;EN300-15439;N,N-diethyl-2-piperazin-1-yl-acetamide, AldrichCPR;Z147527734

Chemical Property of N,N-Diethyl-2-(piperazin-1-yl)acetamide

Chemical Property:

• Vapor Pressure: 0.000419mmHg at 25°C
• Boiling Point: 104-106oC/0.2mm
• Flash Point: 145oC
• PSA: 35.58000
• Density: 0.988g/cm3
• LogP: 0.02670
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 199.168462302
• Heavy Atom Count: 14
• Complexity: 174

Purity/Quality:

97% ^*data from raw suppliers

N,N-Diethyl-2-piperazin-1-ylacetamide ^*data from reagent suppliers

Safty Information:

• Statements: 36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CC)C(=O)CN1CCNCC1

Technology Process of N,N-Diethyl-2-(piperazin-1-yl)acetamide

There total 1 articles about N,N-Diethyl-2-(piperazin-1-yl)acetamide 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: 64.0%

piperazine (110-85-0) → N,N-diethyl-2-(piperazin-1-yl)acetamide (40004-14-6)

Guidance literature:

With conc. HX; In ethanol; Heating;

DOI:10.1016/0223-5234(96)85875-2

Reference yield: 98.0%

4-acetoxybenzoyl chloride (27914-73-4) + N,N-diethyl-2-(piperazin-1-yl)acetamide (40004-14-6) → Acetic acid 4-(4-diethylcarbamoylmethyl-piperazine-1-carbonyl)-phenyl ester; hydrochloride

Guidance literature:

In diethyl ether; at -15 - -10 ℃; for 0.166667h;

DOI:10.1016/0223-5234(96)85875-2

Reference yield:

N,N-diethyl-2-(piperazin-1-yl)acetamide (40004-14-6) → N,N-Diethyl-2-[4-(4-hydroxy-benzoyl)-piperazin-1-yl]-acetamide (183591-60-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.) Et₃N, oxalyl chloride / 1) CH₂Cl₂, rt, 1 h; 2) CH₂Cl₂, -10 to 0 deg C, 1 h

2: K₂CO₃ / methanol / 1 h

With oxalyl dichloride; potassium carbonate; triethylamine; In methanol;

DOI:10.1016/S0223-5234(97)89852-2

upstream raw materials:

piperazine

Downstream raw materials:

Acetic acid 4-(4-diethylcarbamoylmethyl-piperazine-1-carbonyl)-phenyl ester

N,N-Diethyl-2-[4-(4-hydroxy-benzoyl)-piperazin-1-yl]-acetamide