1,3-Dimethylpiperidine

Base Information

• Chemical Name: 1,3-Dimethylpiperidine
• CAS No.: 695-35-2
• Molecular Formula: C7H15 N
• Molecular Weight: 113.203
• Hs Code.: 2933399090
• NSC Number: 81221
• UNII: NPT6G4X8PP
• DSSTox Substance ID: DTXSID601314498
• Nikkaji Number: J47.794J
• Mol file: 695-35-2.mol

Synonyms:1,3-Dimethylpiperidine;Piperidine, 1,3-dimethyl-;695-35-2;NPT6G4X8PP;3-Pipecoline, 1-methyl-;NSC-81221;NSC81221;1,3-Dimethylpiperidin;1-Methyl-3-pipecoline;UNII-NPT6G4X8PP;3-Methyl-N-methylpiperidine;3-Methyl-1-methylpiperidine;SCHEMBL81240;DTXSID601314498;NSC 81221

Chemical Property of 1,3-Dimethylpiperidine

Chemical Property:

• Vapor Pressure: 12.3mmHg at 25°C
• Boiling Point: 125.3°C at 760 mmHg
• Flash Point: 17.8°C
• PSA: 3.24000
• Density: 0.823g/cm³
• LogP: 1.28600
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 113.120449483
• Heavy Atom Count: 8
• Complexity: 70.8

Purity/Quality:

1,3-DIMETHYL-4-PIPERIDINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCCN(C1)C

Technology Process of 1,3-Dimethylpiperidine

There total 21 articles about 1,3-Dimethylpiperidine 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: 70.0%

carbon dioxide (124-38-9,18923-20-1) + 3-Methylpiperidine (626-56-2,53152-98-0) → 1,3-dimethylpiperidine (695-35-2)

Guidance literature:

With 5 wt% Pd/C; hydrogen; 1-butyl-3-methylimidazolium Tetrafluoroborate; at 160 ℃; for 6h; under 75007.5 Torr; Autoclave;

DOI:10.1039/c9sc03242h

Reference yield: 44.0%

1,2-dimethyl-2-trichloromethylpyrrolidine (78190-77-9) → 1,3-dimethylpiperidine (695-35-2)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether; for 5h; Heating;

DOI:10.1248/cpb.29.616

Reference yield:

Trigonelline (535-83-1) → 1,5-dimethyl-1,2,3,6-tetrahydro-pyridine (695-36-3) + 1-methyl-1,2,5,6-tetrahydropyridine-3-carboxylic acid (499-04-7) + 1,3-dimethylpiperidine (695-35-2)

Guidance literature:

Electrolysis;

upstream raw materials:

1,5-dimethyl-1,2,3,4-tetrahydro-pyridine

3-Methylpyridine

dimethyl sulfate

1,3-dimethylpyridinium iodide

Downstream raw materials:

1,5-dimethyl-1,2,3,4-tetrahydro-pyridine

1,3-dimethyl-2-piperidinone

1,1',5,5'-Tetramethyl-3-(2'-piperidyl)-1,4,5,6-tetrahydropyridin

N-methyl-5-methyl-2-piperidinone

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