6-Methylpiperidin-2-one

Base Information

• Chemical Name: 6-Methylpiperidin-2-one
• CAS No.: 4775-98-8
• Molecular Formula: C6H11 N O
• Molecular Weight: 113.159
• European Community (EC) Number: 225-321-5
• DSSTox Substance ID: DTXSID80963927
• Nikkaji Number: J50.699K
• Mol file: 4775-98-8.mol

Synonyms:6-Methylpiperidin-2-one;4775-98-8;2-Piperidinone, 6-methyl-;Methylpentanone isoxime;6-Methyl-2-piperidinone;Methylpentanonisoxim;6-Methyl-2-piperidone;2-PIPERIDONE, 6-METHYL-;Methylpentanonisoxim [German];EINECS 225-321-5;(6R)-6-methyl-2-Piperidinone;MFCD00127922;5-Caprolactam;2-Pipecolin-6-one;6-methyl-2-piperidon;6-Methyl-2-piperidinone #;SCHEMBL1115431;DTXSID80963927;Hexanoic acid, 5-amino-, lactam;AMY16211;AKOS006275727;SB41421;SB47080;AS-50393;SY033090;6-Methyl-3,4,5,6-tetrahydropyridin-2-ol;LS-117334;CS-0009358;FT-0741723;EN300-116261;P10077;A827334;Z1198150789

Chemical Property of 6-Methylpiperidin-2-one

Chemical Property:

• Vapor Pressure: 0.0177mmHg at 25°C
• Melting Point: 87.2-88 °C
• Boiling Point: 254°Cat760mmHg
• PKA: 16.67±0.40(Predicted)
• Flash Point: 138.6°C
• PSA: 32.59000
• Density: 0.951g/cm³
• LogP: 0.95090
• Storage Temp.: 2-8°C
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 113.084063974
• Heavy Atom Count: 8
• Complexity: 101

Purity/Quality:

99% ^*data from raw suppliers

6-Methylpiperidin-2-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1CCCC(=O)N1

Technology Process of 6-Methylpiperidin-2-one

There total 42 articles about 6-Methylpiperidin-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%

5-hydroxyimino-hexanoic acid ethyl ester (98552-93-3) → δ-caprolactam (4775-98-8)

Guidance literature:

With hydrogen; nickel; In ethanol; at 150 ℃; for 7h; under 114000 Torr;

DOI:10.3987/COM-89-S57

Reference yield: 97.0%

oxo-ester + methyl levulinate (13984-50-4) → δ-caprolactam (4775-98-8)

Guidance literature:

Reference yield: 95.0%

6-methyl-2(1H)-pyridone (3279-76-3) → δ-caprolactam (4775-98-8)

Guidance literature:

With platinum(IV) oxide; hydrogen; In methanol; at 20 ℃; for 24h;

DOI:10.1002/ejoc.201801134

upstream raw materials:

2-Methylcyclopentanone

5-oxohexanenitrile

6-benzoylamino-5-methylpentanoic acid

5-ketohexanoic acid

Downstream raw materials:

6-hydroxy-2-methylpyridine

(6R)-(-)-6-methylpiperidin-2-one

(6S)-(+)-6-methylpiperidin-2-one

5,6-dihydro-3-(4-morpholinyl)-1-[4-(2-oxo-6-methyl-1-piperidinyl)phenyl]-2(1H)-pyridone

Refernces

• 1、 Chen, Bingfeng,Xie, Zhenbing,Peng, Fangfang,Li, Shaopeng,Yang, Junjuan,Wu, Tianbin,Fan, Honglei,Zhang, Zhaofu,Hou, Minqiang,Li, Shumu,Liu, Huizhen,Han, Buxing. "Production of Piperidine and δ-Lactam Chemicals from Biomass-Derived Triacetic Acid Lactone". supporting information. p. 14405 - 14409. Retrieved 2021/05/21.
• 2、 Li, Hu,Wu, Hongguo,Zhang, Heng,Su, Yaqiong,Yang, Song,Hensen, Emiel J. M.. "A Facile Direct Route to N-(Un)substituted Lactams by Cycloamination of Oxocarboxylic Acids without External Hydrogen". . p. 3778 - 3784. Retrieved 2019/08/07.