Tert-butyl 4-benzoylpiperazine-1-carboxylate

Base Information

• Chemical Name: Tert-butyl 4-benzoylpiperazine-1-carboxylate
• CAS No.: 77278-38-7
• Molecular Formula: C16H22N2O3
• Molecular Weight: 290.362
• European Community (EC) Number: 846-164-4
• Wikidata: Q107964100
• Mol file: 77278-38-7.mol

Synonyms:77278-38-7;tert-butyl 4-benzoylpiperazine-1-carboxylate;1-Piperazinecarboxylic acid, 4-benzoyl-, 1,1-dimethylethyl ester;4-benzoylpiperazine-1-carboxylic acid tert-butyl ester;N-Benzoyl-N'-Boc piperazine;SCHEMBL1374093;YOZLBJXUJHNUOW-UHFFFAOYSA-N;CDA27838;CS-M1667;MFCD16892458;AKOS009107360;CS-14441;DB-367302;tert-butyl4-benzoylpiperazine-1-carboxylate;Tert-butyl 4-benzoyl-1-piperazinecarboxylate;EN300-201527;4-benzoyl-piperazine-1-carboxylic acid tert-butyl ester;tert-Butyl 4-benzoyl-1-piperazinecarboxylate, AldrichCPR;Z221246788

Chemical Property of Tert-butyl 4-benzoylpiperazine-1-carboxylate

Chemical Property:

• Boiling Point: 422.7±38.0 °C(Predicted)
• PKA: 0.10±0.70(Predicted)
• PSA: 49.85000
• Density: 1.148±0.06 g/cm3(Predicted)
• LogP: 2.25530
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 290.16304257
• Heavy Atom Count: 21
• Complexity: 376

Purity/Quality:

NLT 98% ^*data from raw suppliers

tert-Butyl4-benzoylpiperazine-1-carboxylate 95%+ ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=CC=CC=C2

Technology Process of Tert-butyl 4-benzoylpiperazine-1-carboxylate

There total 14 articles about Tert-butyl 4-benzoylpiperazine-1-carboxylate 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: 99.0%

benzoic acid (65-85-0,8013-63-6) + 1-t-Butoxycarbonylpiperazine (57260-71-6) → 4-benzoylpiperazine-1-carboxylic acid tert-butyl ester (77278-38-7)

Guidance literature:

benzoic acid; 1-t-Butoxycarbonylpiperazine; With dmap; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide; In dichloromethane; at 20 ℃; for 17h;

With hydrogenchloride; In dichloromethane; water;

Reference yield: 99.0%

1-t-Butoxycarbonylpiperazine (57260-71-6) → 4-benzoylpiperazine-1-carboxylic acid tert-butyl ester (77278-38-7)

Guidance literature:

With dmap; 1,2-dichloro-ethane; benzoic acid; In dichloromethane;

Reference yield: 98.0%

benzoyl chloride (98-88-4) + 1-t-Butoxycarbonylpiperazine (57260-71-6) → 4-benzoylpiperazine-1-carboxylic acid tert-butyl ester (77278-38-7)

Guidance literature:

With triethylamine; In dichloromethane; at 25 ℃; for 3h; Cooling with ice;

upstream raw materials:

benzoyl chloride

1-t-Butoxycarbonylpiperazine

piperazine

benzoic acid

Downstream raw materials:

4-benzyl-piperazine-1-carboxylic acid tert-butyl ester

(4-(2-chloroethyl)piperazin-1-yl)(phenyl)methanone

(4-(2-hydroxyethyl)piperazin-1-yl)(phenyl)methanone

[4-(azetidin-3-yl)piperazin-1-yl]phenylmethanone

Refernces

• 1、 Chen, Qiu-Yun,Huang, Pu-Zhen,Shao, Jian,Zheng, Qing-Lin. "Nano adamantane-conjugated BODIPY for lipase affinity and light driven antibacterial". . . Retrieved 2020.
• 2、 Long, Huan,Hu, Xiaolong,Wang, Baolin,Wang, Quan,Wang, Rong,Liu, Shumeng,Xiong, Fei,Jiang, Zhenzhou,Zhang, Xiao-Qi,Ye, Wen-Cai,Wang, Hao. "Discovery of Novel Apigenin-Piperazine Hybrids as Potent and Selective Poly (ADP-Ribose) Polymerase-1 (PARP-1) Inhibitors for the Treatment of Cancer". . p. 12089 - 12108. Retrieved 2021/09/06.
• 3、 Bhadra, Sukalyan,Gupta, Aniket,Kumar Singh, Anupam,Rahaman, Ajijur. "Catalytic N-Acylation of Cyclic Amines by Arylglyoxylic Acids via Radical-Radical Cross-Coupling". . p. 2198 - 2202. Retrieved 2021/07/22.