(3aS,7aS)-6-Phenethyloctahydro-1H-pyrrolo[2,3-c]pyridine

Base Information

• Chemical Name: (3aS,7aS)-6-Phenethyloctahydro-1H-pyrrolo[2,3-c]pyridine
• CAS No.: 867324-10-5
• Molecular Formula: C15H22N2
• Molecular Weight: 230.353
• DSSTox Substance ID: DTXSID00474287
• Nikkaji Number: J2.626.260G
• Wikidata: Q82304178
• Mol file: 867324-10-5.mol

Synonyms:(3aS,7aS)-6-Phenethyloctahydro-1H-pyrrolo[2,3-c]pyridine;867324-10-5;(3aS,7aS)-6-(2-phenylethyl)-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine;SCHEMBL2380765;DTXSID00474287;AKOS016006721

Chemical Property of (3aS,7aS)-6-Phenethyloctahydro-1H-pyrrolo[2,3-c]pyridine

Chemical Property:

• PSA: 15.27000
• LogP: 2.17960
• Storage Temp.: 2-8°C
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 230.178298710
• Heavy Atom Count: 17
• Complexity: 235

Purity/Quality:

98% ^*data from raw suppliers

(3aS,7aS)-6-Phenethyloctahydro-1H-pyrrolo[2,3-c]pyridine 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CNC2C1CCN(C2)CCC3=CC=CC=C3
• Isomeric SMILES: C1CN[C@H]2[C@@H]1CCN(C2)CCC3=CC=CC=C3

Technology Process of (3aS,7aS)-6-Phenethyloctahydro-1H-pyrrolo[2,3-c]pyridine

There total 11 articles about (3aS,7aS)-6-Phenethyloctahydro-1H-pyrrolo[2,3-c]pyridine 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: 99.0%

C15H22N2*C18H14O8 → (3aS,7aS)-6-phenethyloctahydropyrrolo[2,3-c]pyridine (867324-10-5)

Guidance literature:

With sodium hydroxide; In water;

Reference yield: 36.0%

1-(1-naphthalen-1-yl-ethyl)-6-phenethyl-octahydro-pyrrolo[2,3-c]pyridine (867324-09-2) → (3aS,7aS)-6-phenethyloctahydropyrrolo[2,3-c]pyridine (867324-10-5)

Guidance literature:

With hydrogen; palladium dihydroxide; In methanol; dichloromethane; for 10h; under 2585.81 Torr;

Reference yield:

(3aS,7aS)-6-phenethyloctahydropyrrolo[2,3-c]pyridine hydrochloride (912338-15-9) → (3aS,7aS)-6-phenethyloctahydropyrrolo[2,3-c]pyridine (867324-10-5)

Guidance literature:

With sodium hydroxide; In water;

upstream raw materials:

(3aS,7aS)-6-phenethyloctahydropyrrolo[2,3-c]pyridine hydrochloride

1-(1-naphthalen-1-yl-ethyl)-6-phenethyl-octahydro-pyrrolo[2,3-c]pyridine

phenethylamine

N-phenethylbut-3-en-1-amine

Downstream raw materials:

C₂₃H₃₅N₃O

C₃₂H₅₀N₄O₄

C₂₀H₂₇N₅O₂

C₃₂H₅₀N₄O₄