(S)-(+)-Octahydroindolizine

Base Information

• Chemical Name: (S)-(+)-Octahydroindolizine
• CAS No.: 18881-13-5
• Molecular Formula: C₈H₁₅N
• Molecular Weight: 125.214
• UNII: 734E7Q05NH
• Nikkaji Number: J411.171K
• Wikidata: Q27266131
• Mol file: 18881-13-5.mol

Synonyms:(S)-Octahydroindolizine;18881-13-5;(S)-(+)-Octahydroindolizine;(S)-Coinicine;(+)-Indolizidine;Indolizine, octahydro-, (8aS)-;(8as)-octahydro-indolizine;Indolizine, octahydro-, (S)-;(S)-delta-Coniceine;(+)-delta-Coniceine;Octahydroindolizine, (S)-(+)-;Indolizine, octahydro-, (S)-(+)-;UNII-734E7Q05NH;734E7Q05NH;(8aS)-1,2,3,5,6,7,8,8a-octahydroindolizine;(+)-Coniceine;(8aS)-octahydroindolizine;INDOLIZIDINE, (S)-;SCHEMBL3232584;(S)-.DELTA.-CONICEINE;(+)-.DELTA.-CONICEINE;OCTAHYDROINDOLIZINE, (S)-;Q27266131

Chemical Property of (S)-(+)-Octahydroindolizine

Chemical Property:

• Boiling Point: 100-105 °C(Press: 140 Torr)
• PKA: 10.57±0.20(Predicted)
• PSA: 3.24000
• Density: 0.95±0.1 g/cm3(Predicted)
• LogP: 1.57260
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 125.120449483
• Heavy Atom Count: 9
• Complexity: 101

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCN2CCCC2C1
• Isomeric SMILES: C1CCN2CCC[C@@H]2C1

Technology Process of (S)-(+)-Octahydroindolizine

There total 48 articles about (S)-(+)-Octahydroindolizine 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: 90.0%

(8aR,SR)-1,2,3,5,6,7,8,8a-octahydro-8-<(4-methylphenyl)sulfinyl>indolizine (125475-13-0,125517-31-9,125517-32-0,125517-33-1) → (+)-coniceine (18881-13-5)

Guidance literature:

With W-2 Raney-Ni; In ethanol; at 25 ℃;

DOI:10.1021/jo00294a028

Reference yield: 80.0%

hexahydro-indolizin-3-one (139894-04-5,71779-55-0) → (+)-coniceine (18881-13-5)

Guidance literature:

With dimethylsulfide; borane; In tetrahydrofuran; Ambient temperature;

DOI:10.1016/S0957-4166(98)00178-5

Reference yield: 80.0%

(S)-4-(benzyloxycarbonylamino)octane-1,8-diyl dimethanesulfonate (1257303-86-8) → (+)-coniceine (18881-13-5)

Guidance literature:

With hydrogen; palladium(II) hydroxide; In ethyl acetate; for 12h;

DOI:10.1055/s-0030-1257869

upstream raw materials:

(8aR,SR)-1,2,3,5,6,7,8,8a-octahydro-8-<(4-methylphenyl)sulfinyl>indolizine

hexahydro-indolizin-3-one

(S)-hexahydroindolizin-5(1H)-one

(R)-1,2,3,5,6,8a-Hexahydro-indolizine