3-Butyl-5-propyloctahydroindolizine

Base Information

• Chemical Name: 3-Butyl-5-propyloctahydroindolizine
• CAS No.: 67217-85-0
• Molecular Formula: C15H29N
• Molecular Weight: 223.4
• DSSTox Substance ID: DTXSID90986324
• Nikkaji Number: J332.216E
• Wikidata: Q82974166
• Mol file: 67217-85-0.mol

Synonyms:indolizidine 223AB;inolizidine-223AB

Chemical Property of 3-Butyl-5-propyloctahydroindolizine

Chemical Property:

• Vapor Pressure: 0.0064mmHg at 25°C
• Boiling Point: 271.6°C at 760 mmHg
• Flash Point: 107.9°C
• PSA: 3.24000
• Density: 0.9g/cm³
• LogP: 4.30010
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 223.229999929
• Heavy Atom Count: 16
• Complexity: 202

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC1CCC2N1C(CCC2)CCC
• Isomeric SMILES: CCCC[C@@H]1CC[C@@H]2N1[C@@H](CCC2)CCC

Technology Process of 3-Butyl-5-propyloctahydroindolizine

There total 138 articles about 3-Butyl-5-propyloctahydroindolizine 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: 91.0%

(2R,6R,E)-benzyl 2-(3-oxohept-1-enyl)-6-propylpiperidine-1-carboxylate (1226808-32-7) → (-)-indolizidine 223AB (67217-85-0,72120-43-5) + (5Z,9Z)-3-Butyl-5-propylindolizidine (72120-43-5)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In methanol; at 20 ℃; for 12h; under 2844.39 Torr;

DOI:10.1039/b927007h

Reference yield: 90.0%

(3R,5R,8aS)-3-butyl-5-propyl-1,2,3,5,8,8a-hexahydroindolizine → (-)-indolizidine 223AB (67217-85-0,72120-43-5)

Guidance literature:

With 5%-palladium/activated carbon; hydrogen; In ethyl acetate; at 20 ℃; for 3h; under 760.051 Torr;

DOI:10.1002/ejoc.201901494

Reference yield: 88.0%

dimethyllithium cuprate (15681-48-8) + Toluene-4-sulfonic acid 2-((3R,5S,8aR)-3-butyl-octahydro-indolizin-5-yl)-ethyl ester (292615-27-1) → (-)-indolizidine 223AB (67217-85-0,72120-43-5)

Guidance literature:

With lithium bromide; In tetrahydrofuran; at -78 - 0 ℃; for 2h;

DOI:10.1021/ol006094z

upstream raw materials:

(3R,8aR)-3-Butyl-5-propyl-3,5,6,7,8,8a-hexahydro-indolizine

1-(methoxycarbonyl)-2-n-butyl-3-pyrroline

(2R,5R)-2-(4-Bromo-heptyl)-5-butyl-2,5-dihydro-pyrrole-1-carboxylic acid methyl ester

(2R,6R)-(-)-2-((3S)-3-hydroxy-1-heptyl)-6-(1-propyl)-piperidine