1-Methyl-1,2,3,6-tetrahydropyridine

Base Information

• Chemical Name: 1-Methyl-1,2,3,6-tetrahydropyridine
• CAS No.: 694-55-3
• Molecular Formula: C6H11N
• Molecular Weight: 97.16
• Hs Code.: 2933399090
• European Community (EC) Number: 211-773-0
• NSC Number: 130981,66490
• UNII: 996Q6WT35H
• DSSTox Substance ID: DTXSID10219525
• Nikkaji Number: J206.014K
• Wikidata: Q83096458
• Mol file: 694-55-3.mol

Synonyms:1-Methyl-1,2,3,6-tetrahydropyridine;694-55-3;1-methyl-3,6-dihydro-2H-pyridine;Pyridine, 1,2,3,6-tetrahydro-1-methyl-;1,2,3,4-Tetrahydro-1-methylpyridine;1-Methyl-3-piperideine;1-methyl-5,6-dihydro-2H-pyridine;996Q6WT35H;EINECS 211-773-0;NSC-66490;NSC-130981;1-methyl-1,2,3,6-tetrahydro-pyridine;N-Methyl-1,5,6-tetrahydropyridine;Pyridine,2,3,6-tetrahydro-1-methyl-;NSC66490;UNII-996Q6WT35H;DTXSID10219525;NSC 66490;NSC130981;N-Methyl-1,2,5,6-tetrahydropyridine;1,2,3,6-Tetrahydro-1-methylpyridine;NSC 130981;1-Methyl-1,2,3,6-tetrahydropyridine #;FT-0768839

Chemical Property of 1-Methyl-1,2,3,6-tetrahydropyridine

Chemical Property:

• Vapor Pressure: 6.854mmHg at 25°C
• Melting Point: 198-202 °C
• Boiling Point: 115.9°Cat760mmHg
• PKA: 9.05±0.20(Predicted)
• Flash Point: 15.1°C
• PSA: 3.24000
• Density: 0.876g/cm³
• LogP: 0.81600
• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 97.089149355
• Heavy Atom Count: 7
• Complexity: 76.2

Purity/Quality:

99% ^*data from raw suppliers

1-METHYL-1,2,3,6-TETRAHYDROPYRIDINE 95 ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 36/37/38-20/21/22
• Safety Statements: 36/37/39-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCC=CC1

Technology Process of 1-Methyl-1,2,3,6-tetrahydropyridine

There total 14 articles about 1-Methyl-1,2,3,6-tetrahydropyridine 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:

formic acid (64-18-6) + potassium formate (590-29-4) + Trigonelline (535-83-1) → N-methyl-3,4-didehydropiperidine (694-55-3) + N-methylcyclohexylamine (626-67-5)

Guidance literature:

at 160 ℃;

Reference yield:

formic acid (64-18-6) + N-(ethoxycarbonylmethyl)pyridinium bromide (17282-40-5) + potassium formate (590-29-4) → N-methyl-3,4-didehydropiperidine (694-55-3) + N-methylcyclohexylamine (626-67-5) + formic acid ethyl ester (109-94-4)

Guidance literature:

at 155 ℃;

Reference yield:

1-methyl-4-nitrosobenzene (623-11-0) + 1-methylpyridinium bromide (2350-76-7) → N-methyl-3,4-didehydropiperidine (694-55-3) + N-methylcyclohexylamine (626-67-5)

Guidance literature:

upstream raw materials:

formic acid

N-(ethoxycarbonylmethyl)pyridinium bromide

potassium formate

Trigonelline

Downstream raw materials:

N,N'-dimethylpiperazine

dimethyl-3,8 diaza-3,8 bicyclo<4.3.0>nonane

N-methylcyclohexylamine

N-methyl-piperidine-4-carboxaldehyde

Refernces

• 1、 -. "PYRROLOTRIAZINE COMPOUNDS AS KINASE INHIBITORS". Page/Page column 80-81. . Retrieved 2008/06/13.
• 2、 Della, Ernest W.,Smith, Paul A.. "Intramolecular cyclization of β-amino and β-ammonio radicals: A new synthetic route to the 1-azabicyclo[3.2.1]octyl- and -[2.2.1]heptyl systems". . p. 6627 - 6633. Retrieved 2007/10/03.