1-Methylpiperazin-2-one

Base Information

• Chemical Name: 1-Methylpiperazin-2-one
• CAS No.: 59702-07-7
• Molecular Formula: C5H10N2O
• Molecular Weight: 114.147
• Hs Code.: 2933599090
• European Community (EC) Number: 696-637-2
• DSSTox Substance ID: DTXSID40402847
• Wikidata: Q72495588
• Mol file: 59702-07-7.mol

Synonyms:1-methylpiperazin-2-one;59702-07-7;1-Methyl-piperazin-2-one;1-Methyl-2-piperazinone;Piperazinone, 1-methyl-;MFCD00102572;4-methyl-3-oxo-piperazine;methylpiperazinone;N-methyl piperazone;N-methylpiperazinone;1-methylpiperazinone;N-methyl-piperazinone;methylpiperazin-2-one;1-methyl-2-oxopiperazine;2-Piperazinone,1-methyl-;SCHEMBL40177;DTXSID40402847;KJCIMSSFGUGTGA-UHFFFAOYSA-N;BCP23187;CS-D0697;STK123477;1-methylpiperazin-2-one, AldrichCPR;AKOS000351347;BS-12928;SY025326;AM20100457;BB 0220715;FT-0646804;EN300-83353;A22566;J-505004;F1618-0605

Chemical Property of 1-Methylpiperazin-2-one

Chemical Property:

• Vapor Pressure: 0.035mmHg at 25°C
• Refractive Index: 1.461
• Boiling Point: 242.12 °C at 760 mmHg
• PKA: 7.42±0.20(Predicted)
• Flash Point: 100.231 °C
• PSA: 32.34000
• Density: 1.037 g/cm³
• LogP: -0.68530
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: -0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 114.079312947
• Heavy Atom Count: 8
• Complexity: 103

Purity/Quality:

99% ^*data from raw suppliers

1-Methylpiperazin-2-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 43
• Safety Statements: 36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCNCC1=O

Technology Process of 1-Methylpiperazin-2-one

There total 7 articles about 1-Methylpiperazin-2-one 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: 100.0%

4-methyl-3-oxopiperazine-1-carboxylic acid benzyl ester (685520-31-4) → 1-methylpiperazin-2-one (59702-07-7)

Guidance literature:

With palladium on activated charcoal; hydrogen; In methanol; at 20 ℃; for 1h;

Reference yield: 91.0%

piperazine (110-85-0) → 1-methylpiperazin-2-one (59702-07-7)

Guidance literature:

With sodium hydroxide; In acetone;

Reference yield:

4-benzyloxycarbonyl-1-methyl-3,4-dihydropyrazin-2(1H)-one (851726-65-3) → 1-methylpiperazin-2-one (59702-07-7)

Guidance literature:

4-benzyloxycarbonyl-1-methyl-3,4-dihydropyrazin-2(1H)-one; With hydrogen; palladium 10% on activated carbon; In ethanol; at 20 ℃; under 760.051 Torr;

With hydrogen; palladium(II) hydroxide/carbon; In ethanol; for 24h;

upstream raw materials:

4-benzyloxycarbonyl-1-methyl-3,4-dihydropyrazin-2(1H)-one

piperazine

1-methylpiperazin-2-one hydrochloride

1-tert-butoxycarbonyl-4-methyl-3-oxopiperazine

Downstream raw materials:

6-Fluoro-1-(4-fluoro-phenyl)-7-(4-methyl-3-oxo-piperazin-1-yl)-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid

4-bromo-2-(4-fluorobenzyl)-5-(4-methyl-3-oxopiperazin-1-yl)pyridazin-3(2H)-one

N-(4-fluorobenzyl)-8-hydroxy-5-(4-methyl-3-oxopiperazin-1-yl)-1,6-naphthyridine-7-carboxamide

3-(2-fluorophenyl)-5-(1-methyl-2-oxopiperazin-4-yl)-[1,2,3]triazolo[1,5-a]quinazoline

Refernces

• 1、 -. "Synthetic method of 4-(n-azetidin -2-3-)-1- one-methyl piperazinedione dihydrochloride (by machine translation)". Paragraph 0032; 0035-0036; 0042; 0045-0046; 0051; 0054-0055. . Retrieved 2019/12/29.
• 2、 Kim, Heung Jae,Kwak, Woo Young,Min, Jong Pil,Lee, Jae Young,Yoon, Tae Hyun,Kim, Ha Dong,Shin, Chang Yell,Kim, Mi Kyung,Choi, Song Hyen,Kim, Hae Sun,Yang, Eun Kyoung,Cheong, Ye Hwang,Chae, Yu Na,Park, Kyung Jin,Jang, Ji Myun,Choi, Soo Jung,Son, Moon Ho,Kim, Soon Hoe,Yoo, Moohi,Lee, Bong Jin. "Discovery of DA-1229: A potent, long acting dipeptidyl peptidase-4 inhibitor for the treatment of type 2 diabetes". scheme or table. p. 3809 - 3812. Retrieved 2011/07/31.