4-Cbz-piperazine-1-carbonyl Chloride

Base Information

• Chemical Name: 4-Cbz-piperazine-1-carbonyl Chloride
• CAS No.: 25539-27-9
• Molecular Formula: C13H15ClN2O3
• Molecular Weight: 282.727
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID60598332
• Wikidata: Q82494080
• Mol file: 25539-27-9.mol

Synonyms:4-Cbz-piperazine-1-carbonyl Chloride;25539-27-9;benzyl 4-carbonochloridoylpiperazine-1-carboxylate;4-CHLOROCARBONYL-PIPERAZINE-1-CARBOXYLIC ACID BENZYL ESTER;Benzyl 4-(chlorocarbonyl)piperazine-1-carboxylate;BENZYL 4-(CARBONOCHLORIDOYL)PIPERAZINE-1-CARBOXYLATE;SCHEMBL1723015;DTXSID60598332;LIOIUTGIECXTGX-UHFFFAOYSA-N;4-Cbz-piperazine-1-carbonylChloride;AC5739;MFCD09743772;AKOS027256921;AS-76113;DA-43024;SY034672;A925044;Benzyl 4-(chlorocarbonyl)piperazine-1 -carboxylate

Chemical Property of 4-Cbz-piperazine-1-carbonyl Chloride

Chemical Property:

• Boiling Point: 203-208 °C(Press: 1.3 Torr)
• PKA: -0.55±0.70(Predicted)
• PSA: 49.85000
• Density: 1.327±0.06 g/cm3(Predicted)
• LogP: 2.17540
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 282.0771200
• Heavy Atom Count: 19
• Complexity: 324

Purity/Quality:

97% ^*data from raw suppliers

4-Cbz-piperazine-1-carbonyl chloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCN1C(=O)OCC2=CC=CC=C2)C(=O)Cl

Technology Process of 4-Cbz-piperazine-1-carbonyl Chloride

There total 4 articles about 4-Cbz-piperazine-1-carbonyl Chloride 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:

1,1-Dichloroethylene (75-35-4,9002-85-1) + phenylmethyl 1-piperazinecarboxylate (31166-44-6) → 4-chlorocarbonyl-piperazine-1-carboxylic acid benzyl ester (25539-27-9)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In dichloromethane; toluene; at 0 - 20 ℃; for 2h;

Reference yield:

phenylmethyl 1-piperazinecarboxylate (31166-44-6) + trichloromethyl chloroformate (503-38-8) → 4-chlorocarbonyl-piperazine-1-carboxylic acid benzyl ester (25539-27-9)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In tetrahydrofuran; at 0 ℃; for 1h;

Reference yield:

phosgene (75-44-5) + phenylmethyl 1-piperazinecarboxylate (31166-44-6) → 4-chlorocarbonyl-piperazine-1-carboxylic acid benzyl ester (25539-27-9)

Guidance literature:

With toluene; benzene;

DOI:10.1021/jo50013a007

upstream raw materials:

phosgene

phenylmethyl 1-piperazinecarboxylate

1,1-Dichloroethylene

trichloromethyl chloroformate