1-(4-Tert-butylbenzoyl)piperazine

Base Information

• Chemical Name: 1-(4-Tert-butylbenzoyl)piperazine
• CAS No.: 118630-34-5
• Molecular Formula: C₁₅H₂₂N₂O
• Molecular Weight: 246.352
• DSSTox Substance ID: DTXSID801217294
• ChEMBL ID: CHEMBL1626270
• Mol file: 118630-34-5.mol

Synonyms:1-(4-TERT-BUTYLBENZOYL)PIPERAZINE;118630-34-5;(4-tert-butylphenyl)(piperazin-1-yl)methanone;(4-tert-butylphenyl)-piperazin-1-ylmethanone;(4-tert-Butyl-phenyl)-piperazin-1-yl-methanone;MLS000067604;SMR000115860;Oprea1_400354;Oprea1_707882;SCHEMBL270732;CHEMBL1626270;BDBM55372;cid_2860295;DTXSID801217294;GS3274;MFCD01126872;STL183859;AKOS000124798;AB00092777-01;(4-(tert-Butyl)phenyl)(piperazin-1-yl)methanone;[4-(1,1-Dimethylethyl)phenyl]-1-piperazinylmethanone;(4-tert-butylphenyl)-piperazino-methanone;hydrochloride;(4-tert-butylphenyl)-(1-piperazinyl)methanone;(4-tert-butylphenyl)-piperazin-1-yl-methanone

Chemical Property of 1-(4-Tert-butylbenzoyl)piperazine

Chemical Property:

• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 246.173213330
• Heavy Atom Count: 18
• Complexity: 281

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCNCC2

Technology Process of 1-(4-Tert-butylbenzoyl)piperazine

There total 7 articles about 1-(4-Tert-butylbenzoyl)piperazine 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:

piperazine (110-85-0) + C17H17NO3S (138467-42-2) → para-nitrobenzenethiol (1849-36-1) + 1-(4-tert-Butylbenzoyl)piperazine (118630-34-5)

Guidance literature:

In water; dimethyl sulfoxide; at 25 ℃; Time; Kinetics;

DOI:10.5012/bkcs.2011.32.4.1153

Reference yield:

piperazine dihydrochloride (142-64-3,8006-71-1) + N-(4-tert-butylbenzoyl)imidazole (7196-32-9) → 1-(4-tert-Butylbenzoyl)piperazine (118630-34-5)

Guidance literature:

With piperazine; sodium chloride; In tetrahydrofuran; water; at 20 ℃; for 5h;

Reference yield:

piperazine (110-85-0) + piperazine dihydrochloride (142-64-3,8006-71-1) + 4-(1,1-dimethylethyl)benzoic acid (98-73-7) → 1-(4-tert-Butylbenzoyl)piperazine (118630-34-5)

Guidance literature:

4-(1,1-dimethylethyl)benzoic acid; With 1,1'-carbonyldiimidazole; In tetrahydrofuran; at 20 ℃; for 0.5h;

piperazine; piperazine dihydrochloride; With sodium chloride; In tetrahydrofuran; water; at 20 ℃; for 5h;

DOI:10.1016/j.ejmech.2015.07.015

upstream raw materials:

(4-Benzyl-piperazin-1-yl)-(4-tert-butyl-phenyl)-methanone

p-tert-butyl benzoyl chloride

piperazine

C₁₇H₁₇NO₃S