Piperazine, 1-benzoyl-4-benzyl-

Base Information

• Chemical Name: Piperazine, 1-benzoyl-4-benzyl-
• CAS No.: 63991-67-3
• Molecular Formula: C18H20 N2 O
• Molecular Weight: 280.37
• DSSTox Substance ID: DTXSID10213947
• Nikkaji Number: J893.443F
• Wikidata: Q83089635
• ChEMBL ID: CHEMBL240317
• Mol file: 63991-67-3.mol

Synonyms:Piperazine, 1-benzoyl-4-benzyl-;1-Benzoyl-4-benzylpiperazine;N-Benzyl N'-benzoylpiperazine;BRN 0266199;63991-67-3;Piperazine, 1-benzoyl-4-(phenylmethyl)-;5-23-01-00195 (Beilstein Handbook Reference);(4-Benzyl-piperazin-1-yl)-phenyl-methanone;piperazine, a18;CBMicro_019113;Oprea1_002592;Oprea1_241907;CHEMBL240317;SCHEMBL1019998;1-Benzoyl-4-benzylpiperazine #;BDBM25789;DTXSID10213947;HMS1672M21;CCG-7146;STK071354;AKOS000549765;NCGC00245310-01;(4-benzylpiperazin-1-yl)(phenyl)methanone;(4-benzylpiperazin-1-yl)-phenyl-methanone;BIM-0019095.P001;LS-110339;AB00082485-01;EN300-12415987;SR-01000407039;SR-01000407039-1;Z27763860

Chemical Property of Piperazine, 1-benzoyl-4-benzyl-

Chemical Property:

• Vapor Pressure: 1.67E-07mmHg at 25°C
• Boiling Point: 427.2°C at 760 mmHg
• Flash Point: 182.3°C
• Density: 1.149g/cm³
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 280.157563266
• Heavy Atom Count: 21
• Complexity: 324

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CC=CC=C3

Technology Process of Piperazine, 1-benzoyl-4-benzyl-

There total 18 articles about Piperazine, 1-benzoyl-4-benzyl- 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: 94.0%

benzaldehyde (100-52-7) + N-Benzoylpiperazine (13754-38-6) → (4-benzyl-1-piperazinyl)(phenyl)methanone (63991-67-3)

Guidance literature:

With bis(triphenylphosphine)copper(I) tetrahydroborate; aminosulfonic acid; In methanol; at 20 ℃; for 1.5h;

DOI:10.1016/j.tetlet.2006.12.037

Reference yield: 93.0%

2,2,2-trichloroacetophenone (2902-69-4) + N-benzyl-piperazine hydrochloride (110475-31-5) → (4-benzyl-1-piperazinyl)(phenyl)methanone (63991-67-3)

Guidance literature:

With N,N-diethyl-N-isopropylamine; In acetonitrile; for 16h; Reflux;

Reference yield: 90.0%

1-phenylmethylpiperazine (2759-28-6) + benzamide (55-21-0,27208-38-4) → (4-benzyl-1-piperazinyl)(phenyl)methanone (63991-67-3)

Guidance literature:

With niobium(V) oxide; In neat (no solvent); at 160 ℃; Sealed tube; Inert atmosphere;

DOI:10.1002/adsc.201300717

upstream raw materials:

1-phenylmethylpiperazine

benzoyl chloride

piperazine

benzyl bromide

Downstream raw materials:

[4-(4-fluoro-benzenesulfonyl)-piperazin-1-yl]-phenyl-methanone

N-Benzoylpiperazine

Refernces

• 1、 Bhadra, Sukalyan,Gupta, Aniket,Kumar Singh, Anupam,Rahaman, Ajijur. "Catalytic N-Acylation of Cyclic Amines by Arylglyoxylic Acids via Radical-Radical Cross-Coupling". supporting information. p. 2198 - 2202. Retrieved 2021/07/22.
• 2、 -. "A piperazine amide preparation method of the compound (by machine translation)". Paragraph 0034-0036. . Retrieved 2017/08/25.