3-Methylpiperidine

Base Information

• Chemical Name: 3-Methylpiperidine
• CAS No.: 626-56-2
• Deprecated CAS: 53152-98-0
• Molecular Formula: C₆H₁₃N
• Molecular Weight: 99.1759
• Hs Code.: 29333990
• European Community (EC) Number: 210-953-6
• NSC Number: 66494
• UN Number: 2920
• UNII: FDI976OYAS
• DSSTox Substance ID: DTXSID4029195
• Nikkaji Number: J11.560F
• Wikidata: Q27277932
• ChEMBL ID: CHEMBL279512
• Mol file: 626-56-2.mol

Synonyms:3-methylpiperidine

Chemical Property of 3-Methylpiperidine

Chemical Property:

• Appearance/Colour: liquid
• Vapor Pressure: 12.1mmHg at 25°C
• Melting Point: -24 °C
• Refractive Index: n20/D 1.447(lit.)
• Boiling Point: 125.5 °C at 760 mmHg
• PKA: pK1:11.07(+1) (25°C)
• Flash Point: 17.2 °C
• PSA: 12.03000
• Density: 0.809 g/cm³
• LogP: 1.33470
• Storage Temp.: Flammables area
• Water Solubility.: miscible
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 99.104799419
• Heavy Atom Count: 7
• Complexity: 52.1
• Transport DOT Label: Corrosive Flammable Liquid

Purity/Quality:

98% ^*data from raw suppliers

3-Methylpiperidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F, Xi
• Hazard Codes: F,Xi
• Statements: 11-36/37/38
• Safety Statements: 16-23-33-26-7/9

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1CCCNC1
• Uses: 3-Methylpiperidine, is used as a reactant for synthesis of Phenylpropenamide derivatives for anti-hepatitis B virus activity, CB2 receptor agonists for treatment of chronic pain, aurora kinase inhibitors, spiroimidazolidinone NPC1L1 inhibitors, 1,3,5-Oxadiazinones, selective serotonin 5-HT6 receptor antagonists. It is also used as a pharmaceutical intermediate and as a intermediate in organic synthesis.

Technology Process of 3-Methylpiperidine

There total 29 articles about 3-Methylpiperidine 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: 99.5%

2-methylcadaverine (15520-10-2) → 3-Methylpiperidine (626-56-2,53152-98-0)

Guidance literature:

HZSM-5⁽²⁸⁰⁾ zeolite; In water; at 300 ℃;

Reference yield: 85.0%

3-Methylpyridine (108-99-6) → 3-Methylpiperidine (626-56-2,53152-98-0)

Guidance literature:

With hydrogenchloride; samarium; for 0.166667h; Ambient temperature;

DOI:10.1248/cpb.43.1422

Reference yield: 50.0%

4-methoxy-7-morpholin-4-yl-benzothiazol-2-yl-amine (383865-57-4) → 3-Methyl-piperidine-1-carboxylic acid (4-methoxy-7-morpholin-4-yl-benzothiazol-2-yl)-amide + 3-Methylpiperidine (626-56-2,53152-98-0)

Guidance literature:

upstream raw materials:

3-Methylpyridine

2-methylcadaverine dihydrochloride

veratrine

2-methylglutaronitrile

Downstream raw materials:

3,3'-dimethyl-1,1'-bipiperidine

2,3,4,5-tetrahydro-5-methylpyridine

1-cyano-1-<1-(3-methyl)piperidino>cyclohexane

butyraldehyde

Refernces

• 1、 Cao, Yanwei,Zheng, Huan,Zhu, Gangli,Wu, Haihong,He, Lin. "Ceria supported Ru0-Ruδ+ clusters as efficient catalyst for arenes hydrogenation". supporting information. p. 770 - 774. Retrieved 2020/08/24.
• 2、 Kim, Sangmin,Loose, Florian,Bezdek, Máté J.,Wang, Xiaoping,Chirik, Paul J.. "Hydrogenation of N-Heteroarenes Using Rhodium Precatalysts: Reductive Elimination Leads to Formation of Multimetallic Clusters". . p. 17900 - 17908. Retrieved 2019/11/19.