Benzyl 3-oxopiperazine-1-carboxylate

Base Information

• Chemical Name: Benzyl 3-oxopiperazine-1-carboxylate
• CAS No.: 78818-15-2
• Molecular Formula: C12H14N2O3
• Molecular Weight: 234.255
• Hs Code.: 29335990
• European Community (EC) Number: 626-722-1
• DSSTox Substance ID: DTXSID60353100
• Nikkaji Number: J1.375.822K
• Wikidata: Q72442100
• Mol file: 78818-15-2.mol

Synonyms:78818-15-2;benzyl 3-oxopiperazine-1-carboxylate;4-Benzyloxycarbonylpiperazin-2-one;4-Benzyloxycarbonyl-2-piperazinone;1-Cbz-3-oxopiperazine;1-Z-3-oxopiperazine;1-Piperazinecarboxylic acid, 3-oxo-, phenylmethyl ester;3-Oxopiperazine-1-carboxylic acid benzyl ester;4-Benzyloxycarbonyl-2-oxopiperazine;MFCD00173924;4-CBZ-piperazin-2-one;benzyl 3-oxotetrahydro-1(2h)-pyrazinecarboxylate;phenylmethyl 3-oxopiperazinecarboxylate;Maybridge1_008979;MixCom3_000033;Oprea1_422795;SCHEMBL92518;1-carbobenzoxypiperazin-3-one;1-Z-3-oxopiperazine, 97%;1-Carbobenzoxy-3-oxopiperazine;4-benyloxycarbonylpiperazin-2-one;DTXSID60353100;BAHFPJFBMJTOPU-UHFFFAOYSA-N;4-benzyloxycarbonyl-piperazin-2-one;4-benzyloxycarbonylpiperazine-2-one;BCP03381;4-benzyloxycarbonyl-2-oxo-piperazine;benzyl 3-oxo-1-piperazinecarboxylate;CCG-49850;4-(benzyloxy)carbonyl-2-piperazinone;4-(Benzyloxycarbonyl)-2-piperazinone;AKOS005069579;4-(Benzyloxycarbonyl)-piperazin-2-one;CS-W002474;SB12580;1-(2-Phenylaziridin-1-yl)propan-2-ol;SY018232;phenylmethyl 3-oxo-1-piperazinecarboxylate;3-oxopiperazine-carboxylic acid benzyl ester;AM20041176;FT-0622800;3-oxo-piprazine-1-carboxylic acid benzyl ester;EN300-129979;3-oxo-piperazine-1-carboxylic acid benzyl ester;A839503;SR-01000003820;11X-0974;J-519795;SR-01000003820-1;SR-01000003820-2;BRD-K49349109-001-01-7;Z31603335;Benzyl 3-Oxopiperazine-1-carboxylate;3-Oxopiperazine-1-carboxylic acid benzyl ester, 4-Benzyloxycarbonyl-2-piperazinone

Chemical Property of Benzyl 3-oxopiperazine-1-carboxylate

Chemical Property:

• Vapor Pressure: 1.22E-08mmHg at 25°C
• Melting Point: 118-120 °C
• Refractive Index: 1.56
• Boiling Point: 459.826 °C at 760 mmHg
• PKA: 14.98±0.20(Predicted)
• Flash Point: 231.895 °C
• PSA: 58.64000
• Density: 1.244 g/cm³
• LogP: 1.02170
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 234.10044231
• Heavy Atom Count: 17
• Complexity: 288

Purity/Quality:

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

4-Benzyloxycarbonyl-2-piperazinone ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CC(=O)N1)C(=O)OCC2=CC=CC=C2
• Uses: Benzyl 3-oxopiperazine-1-carboxylate is a useful research reagent for organic synthesis and other chemical processes.

Technology Process of Benzyl 3-oxopiperazine-1-carboxylate

There total 1 articles about Benzyl 3-oxopiperazine-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: 98.0%

2-Ketopiperazine (5625-67-2) + benzyl chloroformate (501-53-1,94274-21-2) → 4-benzyloxycarbonylpiperazin-2-one (78818-15-2)

Guidance literature:

With sodium carbonate; In water; ethyl acetate; for 16h; Ambient temperature;

DOI:10.1021/jo00011a051

Reference yield: 100.0%

di-tert-butyl dicarbonate (24424-99-5) + 4-benzyloxycarbonylpiperazin-2-one (78818-15-2) → 2-oxopiperazine-1,4-dicarboxylic acid 1-tert-butyl ester 4-benzyl ester (1228675-25-9)

Guidance literature:

With dmap; triethylamine; In dichloromethane; at 20 ℃; for 2h;

Reference yield: 100.0%

4-benzyloxycarbonylpiperazin-2-one (78818-15-2) + methyl iodide (74-88-4) → 4-methyl-3-oxopiperazine-1-carboxylic acid benzyl ester (685520-31-4)

Guidance literature:

4-benzyloxycarbonylpiperazin-2-one; With sodium hydride; In N,N-dimethyl-formamide; at 20 ℃; for 1h;

methyl iodide; In N,N-dimethyl-formamide; at 20 ℃; for 12h; Cooling with ice;

upstream raw materials:

2-Ketopiperazine

benzyl chloroformate

Downstream raw materials:

4-(carbobenzyloxy)-1-(2-cyclohexylethyl)-2-piperazinone

4-carbobenzoxy-1-(ethoxymethylene)-2-ketopiperazine

4-tert-butoxycarbonylmethyl-3-oxo-piperazine-1-carboxylic acid benzyl ester

phenylmethyl 4-[(4-cyanophenyl)methyl]-3-oxopiperazinecarboxylate

Refernces

• 1、 -. "Quinazoline diketone salt compound containing piperazinone as well as preparation method, pharmaceutical composition and application thereof". Paragraph 0083-0085. . Retrieved 2020/07/02.
• 2、 Zhou, Jie,Ji, Ming,Zhu, Zhixiang,Cao, Ran,Chen, Xiaoguang,Xu, Bailing. "Discovery of 2-substituted 1H-benzo[d]immidazole-4-carboxamide derivatives as novel poly(ADP-ribose)polymerase-1 inhibitors with in?vivo anti-tumor activity". supporting information. p. 26 - 41. Retrieved 2017/03/23.