Phenyl piperazine-1-carboxylate

Base Information

• Chemical Name: Phenyl piperazine-1-carboxylate
• CAS No.: 50606-33-2
• Molecular Formula: C11H14N2O2
• Molecular Weight: 206.244
• DSSTox Substance ID: DTXSID10565094
• Wikidata: Q82450030
• Mol file: 50606-33-2.mol

Synonyms:Phenyl piperazine-1-carboxylate;50606-33-2;1-Piperazinecarboxylic acid, phenyl ester;piperazine-1-carboxylic acid phenyl ester;SCHEMBL2583030;DTXSID10565094;NENLIGJPMYKXNE-UHFFFAOYSA-N;AKOS000204177

Chemical Property of Phenyl piperazine-1-carboxylate

Chemical Property:

• PSA: 41.57000
• LogP: 1.35730
• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 206.105527694
• Heavy Atom Count: 15
• Complexity: 209

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCN1)C(=O)OC2=CC=CC=C2

Technology Process of Phenyl piperazine-1-carboxylate

There total 6 articles about Phenyl piperazine-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: 95.1%

piperazine (110-85-0) + phenyl chloroformate (1885-14-9) → piperazine-1-carboxylic acid phenyl ester (50606-33-2)

Guidance literature:

In ethyl acetate; at 20 ℃; for 2h;

Reference yield:

1-tert-butoxycarbonyl-4-phenoxycarbonyl-piperazine → piperazine-1-carboxylic acid phenyl ester (50606-33-2)

Guidance literature:

With hydrogenchloride; water; In dichloromethane; at 20 ℃;

DOI:10.1016/j.bmcl.2012.02.081

Reference yield:

phenyl chloroformate (1885-14-9) → piperazine-1-carboxylic acid phenyl ester (50606-33-2)

Guidance literature:

Multi-step reaction with 2 steps

1: triethylamine / dichloromethane / 20 °C

2: hydrogenchloride; water / dichloromethane / 20 °C

With hydrogenchloride; water; triethylamine; In dichloromethane;

DOI:10.1016/j.bmcl.2012.02.081

upstream raw materials:

piperazine

phenyl 2,4-dinitrophenyl carbonate

phenyl chloroformate

phenyl (2,4,6-trinitrophenyl) carbonate

Downstream raw materials:

4-[3-(5,11-Dihydro-10-thia-dibenzo[a,d]cyclohepten-5-ylcarbamoyl)-propyl]-piperazine-1-carboxylic acid phenyl ester

C₃₁H₃₅N₅O₆

C₂₂H₂₅ClN₂O₄

4-(2-{4-[3-((R)-2-methyl-pyrrolidin-1-yl)-propoxy]-phenyl}-2-oxo-ethyl)-piperazine-1-carboxylic acid phenyl ester