Methyl piperazine-1-carboxylate hydrochloride

Base Information

• Chemical Name: Methyl piperazine-1-carboxylate hydrochloride
• CAS No.: 873697-75-7
• Molecular Formula: C6H12 N2 O2 . Cl H
• Molecular Weight: 180.634
• Hs Code.: 2933599090
• European Community (EC) Number: 836-612-7
• DSSTox Substance ID: DTXSID30593379
• Mol file: 873697-75-7.mol

Synonyms:methyl piperazine-1-carboxylate hydrochloride;873697-75-7;methyl piperazine-1-carboxylate;hydrochloride;1-Piperazinecarboxylic acid methyl ester hydrochloride;methyl piperazine-1-carboxylate HCl;SCHEMBL399052;DTXSID30593379;RTMYJZVBCVZCCW-UHFFFAOYSA-N;AMY15391;MFCD12912837;AKOS015919768;DS-1744;methylpiperazine-1-carboxylatehydrochloride;DB-076928;EN300-50326;methylpiperazine carboxylate hydrochloride salt;F80381;Z607822536;Methyl piperazine-1-carboxylate--hydrogen chloride (1/1)

Chemical Property of Methyl piperazine-1-carboxylate hydrochloride

Chemical Property:

• PSA: 41.57000
• LogP: 0.72670
• Storage Temp.: Sealed in dry,Room Temperature
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 180.0665554
• Heavy Atom Count: 11
• Complexity: 121

Purity/Quality:

97% ^*data from raw suppliers

Methylpiperazine-1-carboxylatehydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)N1CCNCC1.Cl

Technology Process of Methyl piperazine-1-carboxylate hydrochloride

There total 4 articles about Methyl piperazine-1-carboxylate hydrochloride 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%

1-(tert-butyl) 4-methyl piperazine-1,4-dicarboxylate (219509-79-2) → methyl piperazine-1,3-carboxylate hydrochloride (873697-75-7)

Guidance literature:

With hydrogenchloride; In dichloromethane; ethyl acetate; at 20 ℃; for 1h;

Reference yield: 70.0%

piperazine dihydrochloride (142-64-3,8006-71-1) + methyl chloroformate (79-22-1) → methyl piperazine-1,3-carboxylate hydrochloride (873697-75-7)

Guidance literature:

piperazine dihydrochloride; In methanol; Heating;

methyl chloroformate; With copper(I) ions supported on commercial polymeric resin; at 20 ℃;

DOI:10.3390/molecules25092168

Reference yield:

piperazine (110-85-0) + methyl chloroformate (79-22-1) → methyl piperazine-1,3-carboxylate hydrochloride (873697-75-7)

Guidance literature:

With acetic acid; at 20 ℃;

DOI:10.1016/j.molstruc.2015.03.051

upstream raw materials:

piperazine

methyl chloroformate

1-(tert-butyl) 4-methyl piperazine-1,4-dicarboxylate

piperazine dihydrochloride

Downstream raw materials:

C₁₄H₁₈FN₃O₄

methyl piperazine-1-carboxylate

methyl 4-[(2-fluoro-3-{[(6-methylpyridin-3-yl)carbamoyl]amino}phenyl)methyl]piperazine-1-carboxylate

Refernces

• 1、 ?ev?ík, Richard,?imbera, Jan,Havránková, Eva,Něme?ková, Dana,Pazdera, Pavel. "Simplified procedure for general synthesis of monosubstituted piperazines-from a batch reaction vessel to a flow (microwave) reactor". . . Retrieved 2020/05/25.