1-(Piperazin-1-yl)propan-1-one

Base Information

• Chemical Name: 1-(Piperazin-1-yl)propan-1-one
• CAS No.: 76816-54-1
• Molecular Formula: C7H14 N2 O
• Molecular Weight: 142.201
• Hs Code.: 2933599090
• European Community (EC) Number: 674-524-9
• DSSTox Substance ID: DTXSID20397207
• Wikidata: Q82198351
• ChEMBL ID: CHEMBL3400584
• Mol file: 76816-54-1.mol

Synonyms:76816-54-1;1-(Piperazin-1-yl)propan-1-one;1-(Propanoyl)-piperazine;1-piperazin-1-ylpropan-1-one;1-propionylpiperazine;1-Propanone,1-(1-piperazinyl)-;Piperazine, 1-(1-oxopropyl)-;1-(Propionyl)-piperazine;MFCD04973346;1-Propanoylpiperazine;1-(propionyl)piperazine;1-piperazinyl-1-propanone;SCHEMBL92508;CHEMBL3400584;1-(1-piperazinyl)-1-propanone;DTXSID20397207;YEQAMPOYHLICPF-UHFFFAOYSA-N;BDA81654;3-BROMO-2-METHYLPROPIONICACID;1-(propanoyl)-piperazine, AldrichCPR;AKOS000133770;PS-3217;FT-0727790;EN300-64331;F21173;A838843

Chemical Property of 1-(Piperazin-1-yl)propan-1-one

Chemical Property:

• Vapor Pressure: 0.00623mmHg at 25°C
• Melting Point: 55 °C
• Boiling Point: 78 °C
• Flash Point: 118.3°C
• PSA: 32.34000
• Density: 1.006g/cm³
• LogP: 0.09490
• XLogP3: -0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 142.110613074
• Heavy Atom Count: 10
• Complexity: 119

Purity/Quality:

98%Min ^*data from raw suppliers

1-(Piperazin-1-yl)propan-1-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 36/37/38-41-22
• Safety Statements: 26-36/37/39-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(=O)N1CCNCC1

Technology Process of 1-(Piperazin-1-yl)propan-1-one

There total 7 articles about 1-(Piperazin-1-yl)propan-1-one 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: 98.0%

1-(4-benzyl-piperazin-1-yl)-propan-1-one (314728-80-8) → 1-(piperazin-1-yl)propan-1-one (76816-54-1)

Guidance literature:

With hydrogen; 10percent Pd/C; In ethanol; for 12h; under 2430.66 Torr;

DOI:10.1021/jm000972h

Reference yield: 93.0%

benzyl 4-propionylpiperazine-1-carboxylate → 1-(piperazin-1-yl)propan-1-one (76816-54-1)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In ethanol; at 20 ℃; for 3h; under 1034.32 Torr;

Reference yield: 53.0%

piperazine (110-85-0) + propionic acid anhydride (123-62-6) → 1-(piperazin-1-yl)propan-1-one (76816-54-1)

Guidance literature:

In acetic acid; at 44 ℃;

upstream raw materials:

piperazine

propanoic acid methyl ester

propionic acid anhydride

1-(4-benzyl-piperazin-1-yl)-propan-1-one

Downstream raw materials:

6-Fluoro-1-(4-fluoro-phenyl)-4-oxo-7-(4-propionyl-piperazin-1-yl)-1,4-dihydro-quinoline-3-carboxylic acid

N-cyclohexyl-2-(4-propionylpiperazin-1-yl)acetamide

N-cyclopentyl-2-(4-propionylpiperazin-1-yl)propanamide

N-(pentan-3-yl)-2-(4-propionylpiperazin-1-yl)acetamide

Refernces

• 1、 -. "CYCLIC AMINES AS BROMODOMAIN INHIBITORS". Paragraph 0561; 0563. . Retrieved 2014/05/25.
• 2、 -. "COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE". Page/Page column 187. . Retrieved 2010/06/11.