Methyl Piperazine-2-carboxylate

Base Information

• Chemical Name: Methyl Piperazine-2-carboxylate
• CAS No.: 2758-98-7
• Molecular Formula: C6H12N2O2
• Molecular Weight: 144.173
• Hs Code.: 2833250000
• DSSTox Substance ID: DTXSID90375153
• Mol file: 2758-98-7.mol

Synonyms:Methyl Piperazine-2-carboxylate;2758-98-7;2-Piperazinecarboxylic acid methyl ester;2-Piperazinecarboxylic acid, methyl ester;PIPERAZINE-2-CARBOXYLIC ACID METHYL ESTER;2-Carbomethoxypiperazine;methyl 2-piperazinecarboxylate;MethylPiperazine-2-carboxylate;SCHEMBL1702621;methyl piperazine-2-car-boxylate;DTXSID90375153;ODQZNBWVRPKMKN-UHFFFAOYSA-N;AKOS005067048;SB45138;BB 0260561;CS-0183746;FT-0655542;FT-0737446;FT-0773742;EN300-364354;F16118;A876887;J-522624;Q-102937;Methyl piperazine-2-carboxylate

Chemical Property of Methyl Piperazine-2-carboxylate

Chemical Property:

• Vapor Pressure: 0.0953mmHg at 25°C
• Refractive Index: 1.443
• Boiling Point: 223.6 °C at 760 mmHg
• PKA: 8.05±0.40(Predicted)
• Flash Point: 89 °C
• PSA: 50.36000
• Density: 1.059 g/cm³
• LogP: -0.62160
• Storage Temp.: 2-8°C
• XLogP3: -0.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 144.089877630
• Heavy Atom Count: 10
• Complexity: 127

Purity/Quality:

99%, ^*data from raw suppliers

2-PiperazinecarboxylicAcidMethylEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1CNCCN1

Technology Process of Methyl Piperazine-2-carboxylate

There total 6 articles about Methyl Piperazine-2-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:

piperazine-1,2-dicarboxylic acid 1-tert-butyl ester 2-methyl ester (129799-15-1) → 2-methoxycarbonyltetrahydropyrazine (2758-98-7)

Guidance literature:

With hydrogenchloride; In 1,4-dioxane; methanol; at 25 ℃; for 12h; Inert atmosphere;

Reference yield:

O1,O4-di-tert-butyl O2-methyl piperazine-1,2,4-tricarboxylate (171504-98-6) → 2-methoxycarbonyltetrahydropyrazine (2758-98-7)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; at 0 - 20 ℃; for 4h;

Reference yield:

ethylenediamine (107-15-3,85404-18-8) + acrylic acid methyl ester (292638-85-8,9003-21-8,96-33-3) → 2-methoxycarbonyltetrahydropyrazine (2758-98-7)

Guidance literature:

With porous hyper-cross-linked polymer containing 2.87 mmol/g of ionic liquid embedded in framework synthesized from 4-vinylpyridine and p-xylylene dichloride; In neat (no solvent); at 25 ℃; for 0.183333h;

DOI:10.1134/S0023158416060082

upstream raw materials:

diazomethane

piperazine-2-carboxylic acid

2-pyrazylcarboxylic acid

O₁,O₄-di-tert-butyl O₂-methyl piperazine-1,2,4-tricarboxylate

Downstream raw materials:

tert-butyl methyl piperazine-1,3-dicarboxylate

1-(3-Methyl-butyl)-piperazine-2-carboxylic acid methyl ester

1-(3-methyl-butyl)-4-methyl-2-piperazinecarboxylic acid

4-Methyl-1-(3-methyl-butyl)-piperazine-2-carboxylic acid methyl ester

Refernces

• 1、 -. "KRAS G12C INHIBITORS". Paragraph 0352-0353. . Retrieved 2019/05/24.
• 2、 Li, Junqiao,Lu, Wei,Li, Weifeng,Liang, Xuezheng. "Synthesis and catalytic activity of porous polymer containing ionic liquid structures". . p. 840 - 846. Retrieved 2016/12/07.