gamma-Coniceine

Base Information

• Chemical Name: gamma-Coniceine
• CAS No.: 1604-01-9
• Molecular Formula: C8H15 N
• Molecular Weight: 125.214
• Hs Code.: 2933399090
• UNII: PHK73QLK4Z
• DSSTox Substance ID: DTXSID00166872
• Nikkaji Number: J7.527B
• Wikidata: Q27108656
• Metabolomics Workbench ID: 69384
• Mol file: 1604-01-9.mol

Synonyms:2,3,4,5-tetrahydro-6-propylpyridine;gamma-coniceine

Chemical Property of gamma-Coniceine

Chemical Property:

• Vapor Pressure: 1.9mmHg at 25°C
• Refractive Index: nD16 1.4661
• Boiling Point: 171°Cat760mmHg
• Flash Point: 48.5°C
• PSA: 12.36000
• Density: 0.91g/cm³
• LogP: 1.84700
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 125.120449483
• Heavy Atom Count: 9
• Complexity: 105

Purity/Quality:

99% ^*data from raw suppliers

6-propyl-2,3,4,5-tetrahydropyridine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC1=NCCCC1

Technology Process of gamma-Coniceine

There total 40 articles about gamma-Coniceine 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: 83.0%

1-hydroxy-2-propylpiperidine (102739-94-6) → 6-propyl-2,3,4,5-tetrahydropyridine (1604-01-9)

Guidance literature:

With titanium(III) chloride; In tetrahydrofuran; 1.) addition of substrate at -78 deg C, 2.) room temperature;

DOI:10.1016/S0040-4039(00)98771-9

Reference yield: 76.0%

8-Azido-octan-4-one (106239-43-4) + triphenylphosphine (603-35-0) → 6-propyl-2,3,4,5-tetrahydropyridine (1604-01-9)

Guidance literature:

In diethyl ether; at 20 ℃; for 24h;

Reference yield: 68.0%

5-octynylamine (135469-74-8) → 6-propyl-2,3,4,5-tetrahydropyridine (1604-01-9)

Guidance literature:

dichloro bis(acetonitrile) palladium(II); In various solvent(s); for 20h; Heating;

DOI:10.1021/jo00020a023

upstream raw materials:

2,3,4,5-tetrahydro-6-methoxypyridine

n-propylmagnesium bromide

piperidin-2-one

5-butyrylamino-valeric acid ethyl ester

Downstream raw materials:

N-(5-oxo-octyl)-benzamide

rac-coniine

coniine

2-propylpyridine

Refernces

• 1、 Adriaenssens, Louis V.,Austin, Carolyn A.,Gibson, Mairi,Smith, David,Hartley, Richard C.. "Stereodivergent diversity oriented synthesis of piperidine alkaloids". . p. 4998 - 5001. Retrieved 2007/10/03.
• 2、 Abdel-Kader, Maged S.,Bahler, Brian D.,Malone, Stan,Werkhoven, Marga C. M.,Van Troon, Frits,David,Wisse, Jan H.,Bursuker, Isia,Neddermann, Kim M.,Mamber, Stephen W.,Kingston, David G. I.. "DNA-damaging steroidal alkaloids from Eclipta alba from the suriname rainforest". . p. 1202 - 1208. Retrieved 2007/10/03.