N,N-Diethylpiperazine-1-carboxamide

Base Information

• Chemical Name: N,N-Diethylpiperazine-1-carboxamide
• CAS No.: 119-54-0
• Molecular Formula: C9H19 N3 O
• Molecular Weight: 185.269
• Hs Code.: 2933599090
• European Community (EC) Number: 204-332-9
• UNII: BRN87C278X
• DSSTox Substance ID: DTXSID90152284
• Nikkaji Number: J5.529H
• Wikidata: Q83018914
• Mol file: 119-54-0.mol

Synonyms:N,N-Diethylpiperazine-1-carboxamide;119-54-0;Piperazine-1-carboxylic acid diethylamide;1-Piperazinecarboxamide, N,N-diethyl-;n,n-diethyl-1-piperazine carboxamide;BRN87C278X;N,N-diethyl-1-piperazinecarboxamide;EINECS 204-332-9;MFCD06796284;Subdamine;diethylcarbamylpiperazine;UNII-BRN87C278X;SCHEMBL2420417;DTXSID90152284;AKOS000134172;AKOS002245259;AT27112;FS-4905;piperazine-1-carboxylic acid diethyl amide;CS-0298096;FT-0677735;EN300-36816;AB01001479-01;A804310;AP-124/43382976;J-004150

Chemical Property of N,N-Diethylpiperazine-1-carboxamide

Chemical Property:

• Vapor Pressure: 0.000862mmHg at 25°C
• Refractive Index: 1.486
• Boiling Point: 304.7°Cat760mmHg
• Flash Point: 138.1°C
• PSA: 35.58000
• Density: 1.02g/cm³
• LogP: 0.62010
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 185.152812238
• Heavy Atom Count: 13
• Complexity: 162

Purity/Quality:

98%,99%, ^*data from raw suppliers

N,N-Diethylpiperazine-1-carboxamide 98.0% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CC)C(=O)N1CCNCC1

Technology Process of N,N-Diethylpiperazine-1-carboxamide

There total 6 articles about N,N-Diethylpiperazine-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: 96.0%

4-diethylcarbamoyl-piperazine-1-carboxylic acid tert-butyl ester → N,N-diethylpiperazine-1-carboxamide (119-54-0)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; at 0 ℃; Reflux;

DOI:10.1021/ol401518c

Reference yield: 81.0%

N,N-diethyl-N'-(4-(phenylmethyl)piperazinyl)urea (75529-71-4) → N,N-diethylpiperazine-1-carboxamide (119-54-0)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethanol; for 4h; under 2206.5 Torr;

Reference yield:

N,N-diethylcarbamyl chloride (88-10-8) → N,N-diethylpiperazine-1-carboxamide (119-54-0)

Guidance literature:

Multi-step reaction with 2 steps

1: iPr₂NEt; DMAP / CH₂Cl₂

2: TFA / CH₂Cl₂

With dmap; N-ethyl-N,N-diisopropylamine; trifluoroacetic acid; In dichloromethane;

DOI:10.1016/S0960-894X(02)00688-1

upstream raw materials:

4-formyl-piperazine-1-carboxylic acid diethylamide

N,N-diethylcarbamyl chloride

N,N-diethyl-N'-(4-(phenylmethyl)piperazinyl)urea

Downstream raw materials:

4-(2-Hydroxy-5-nitro-benzoyl)-piperazine-1-carboxylic acid diethylamide

2-<<4-(diethylcarbamoyl)-1-piperazinyl>methyl>-4-nitroanisole

4-(5-Amino-2-hydroxy-benzoyl)-piperazine-1-carboxylic acid diethylamide

4-[5-(7-Chloro-quinolin-4-ylamino)-2-hydroxy-benzoyl]-piperazine-1-carboxylic acid diethylamide

Refernces

• 1、 Sutton, James C.,Bolton, Scott A.,Hartl, Karen S.,Huang, Ming-Hsing,Jacobs, Glenn,Meng, Wei,Ogletree, Martin L.,Pi, Zulan,Schumacher, William A.,Seiler, Steven M.,Slusarchyk, William A.,Treuner, Uwe,Zahler, Robert,Zhao, Guohua,Bisacchi, Gregory S.. "Synthesis and SAR of 4-carboxy-2-azetidinone mechanism-based tryptase inhibitors". . p. 3229 - 3233. Retrieved 2007/10/03.