2,6-Diallyl-4-methyl-1,2,3,6-tetrahydropyridine

Base Information

• Chemical Name: 2,6-Diallyl-4-methyl-1,2,3,6-tetrahydropyridine
• CAS No.: 436088-93-6
• Molecular Formula: C₁₂H₁₉N
• Molecular Weight: 177.29
• Hs Code.: 2933399090
• ChEMBL ID: CHEMBL1334048
• Mol file: 436088-93-6.mol

Synonyms:2,6-diallyl-4-methyl-1,2,3,6-tetrahydropyridine;436088-93-6;2,6-Diallyl-4-methyl-1,2,3,6-tetrahydro-pyridine;4-methyl-2,6-bis(prop-2-enyl)-1,2,3,6-tetrahydropyridine;4-methyl-2,6-bis(prop-2-en-1-yl)-1,2,3,6-tetrahydropyridine;Pyridine,1,2,3,6-tetrahydro-4-methyl-2,6-di-2-propen-1-yl-;MLS000710638;CHEMBL1334048;HMS2644I20;AKOS000301805;AKOS016346200;SB47850;SMR000280305;FT-0676626

Chemical Property of 2,6-Diallyl-4-methyl-1,2,3,6-tetrahydropyridine

Chemical Property:

• Vapor Pressure: 0.0452mmHg at 25°C
• Boiling Point: 237.3 °C at 760 mmHg
• Flash Point: 91.1 °C
• PSA: 12.03000
• Density: g/cm³
• LogP: 3.14420
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 177.151749610
• Heavy Atom Count: 13
• Complexity: 215

Purity/Quality:

98%Min ^*data from raw suppliers

2,6-Diallyl-4-methyl-1,2,3,6-tetrahydropyridine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(NC(C1)CC=C)CC=C

Technology Process of 2,6-Diallyl-4-methyl-1,2,3,6-tetrahydropyridine

There total 5 articles about 2,6-Diallyl-4-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: 95.0%

trans-2,6-diallyl-4-methyl-1,2,3,6-tetrahydropyridine (157056-58-1,436088-93-6) + Triallylborane (688-61-9,53588-88-8,90721-85-0,151452-33-4,151452-35-6) → cis-2,6-diallyl-4-methyl-1,2,3,6-tetrahydropyridine (157056-58-1,436088-93-6)

Guidance literature:

at 130 ℃; for 5h;

DOI:10.1002/ejoc.200500560

Reference yield: 76.0%

picoline (108-89-4) + Triallylborane (688-61-9,53588-88-8,90721-85-0,151452-33-4,151452-35-6) → trans-2,6-diallyl-4-methyl-1,2,3,6-tetrahydropyridine (157056-58-1,436088-93-6)

Guidance literature:

picoline; Triallylborane; at -30 ℃; for 0.166667h;

With isopropyl alcohol; for 2h; Heating;

DOI:10.1002/ejoc.200500560

Reference yield:

picoline (108-89-4) + Triallylborane (688-61-9,53588-88-8,90721-85-0,151452-33-4,151452-35-6) → trans-2,6-diallyl-4-methyl-1,2,3,6-tetrahydropyridine (157056-58-1,436088-93-6) + cis-2,6-diallyl-4-methyl-1,2,3,6-tetrahydropyridine (157056-58-1,436088-93-6)

Guidance literature:

picoline; Triallylborane; at -30 - 0 ℃; Inert atmosphere;

With isopropyl alcohol; at 50 ℃; for 2h; Inert atmosphere;

With sodium hydroxide; In water; Overall yield = 91 %; Inert atmosphere;

DOI:10.1007/s11172-018-2080-0

upstream raw materials:

picoline

Triallylborane

trans-2,6-diallyl-4-methyl-1,2,3,6-tetrahydropyridine