(S)-(+)-2-Methylpiperidine

Base Information

• Chemical Name: (S)-(+)-2-Methylpiperidine
• CAS No.: 3197-42-0
• Molecular Formula: C6H13N
• Molecular Weight: 99.1759
• Hs Code.: 2933399090
• European Community (EC) Number: 626-009-5
• Nikkaji Number: J676.260C
• Wikidata: Q105182354
• Mol file: 3197-42-0.mol

Synonyms:3197-42-0;(S)-(+)-2-Methylpiperidine;(S)-2-METHYLPIPERIDINE;(2S)-2-methylpiperidine;Piperidine, 2-methyl-, (2S)-;(S)-2-methyl-piperidine;Piperidin, 2e-methyl;MFCD01862169;s-2-methylpiperidine;(S)-2-methyl piperidine;(2S)-2beta-Methylpiperidine;(A+/-)-2-methyl-piperidine;alpha-Pipecoline (2-Methylpiperidine;AKOS006347631;(S)-(+)-2-Methylpiperidine, 97%;AM81342;AC-15354;A5761;CS-0145867;EN300-208271

Chemical Property of (S)-(+)-2-Methylpiperidine

Chemical Property:

• Vapor Pressure: 16.4mmHg at 25°C
• Melting Point: -31.69°C (estimate)
• Refractive Index: n20/D 1.446(lit.)
• Boiling Point: 118.8 °C at 760 mmHg
• PKA: 10.63±0.10(Predicted)
• Flash Point: 8.3 °C
• PSA: 12.03000
• Density: 0.81 g/cm³
• LogP: 1.47720
• 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

Purity/Quality:

95-99% ^*data from raw suppliers

(S)-2-Methylpiperidine ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCCCN1
• Isomeric SMILES: C[C@H]1CCCCN1
• Uses: (S)-(+)-2-Methylpiperidine has been used in the preparation of (S)-N-(3-(2-pipecolin-1-yl)propyl)phthalimide by reacting with N-(3-bromopropyl)phthalimide. It may also be used as a starting material in the multi-step synthesis of (2S,6S)-(+)-solenopsin A.

Technology Process of (S)-(+)-2-Methylpiperidine

There total 33 articles about (S)-(+)-2-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: 77.0%

6-methyl-2,3,4,5-tetrahydro-pyridine (1462-92-6) → (S)-2-methylpiperidine (3197-42-0)

Guidance literature:

With NADPH dependentimine reductase; at 30 ℃; for 22h; pH=9.3; enantioselective reaction; Enzymatic reaction;

DOI:10.1002/cctc.201600384

Reference yield: 66.0%

2,5-dioxopyrrolidin-1-yl (R)-2-phenoxypropanoate + 2-Methylpiperidin (109-05-7,3000-79-1) → (R,R)-2-methyl-1-(2-phenoxypropanoyl)piperidine + (2R)-methylpiperidine (1722-95-8) + (S)-2-methylpiperidine (3197-42-0)

Guidance literature:

In toluene; for 24h; stereoselective reaction;

DOI:10.1039/d1ob02099d

Reference yield: 60.0%

(S)-2-((S)-2-Methyl-piperidin-1-yl)-2-phenyl-ethanol (173243-20-4) → (S)-2-methylpiperidine (3197-42-0)

Guidance literature:

With hydrogenchloride; hydrogen; palladium on activated charcoal;

DOI:10.1016/0957-4166(95)00348-S

upstream raw materials:

2-Methylpiperidin

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

(S)-2-((S)-2-Methyl-piperidin-1-yl)-2-phenyl-ethanol

(S)-1-Benzyl-2-methyl-1,2,3,6-tetrahydro-pyridine

Downstream raw materials:

(S)-(+)-2-methyl-1-(4-toluenesulfonyl)piperidine

2-Methylpiperidin

(R)-(2-methylpiperidin-1-yl)(phenyl)methanone

[3,5-(tert-Bu)2-TADDOL]PNC₆H₁₂