8b-Ethoxy-3a-phenyl-1,2,3,3a,4,8b-hexahydrocyclopenta[b]indole

Base Information

• Chemical Name: 8b-Ethoxy-3a-phenyl-1,2,3,3a,4,8b-hexahydrocyclopenta[b]indole
• CAS No.: 105246-83-1
• Molecular Formula: C₁₉H₂₁NO
• Molecular Weight: 279.382
• DSSTox Substance ID: DTXSID90543714
• Mol file: 105246-83-1.mol

Synonyms:105246-83-1;DTXSID90543714;8b-Ethoxy-3a-phenyl-1,2,3,3a,4,8b-hexahydrocyclopenta[b]indole

Chemical Property of 8b-Ethoxy-3a-phenyl-1,2,3,3a,4,8b-hexahydrocyclopenta[b]indole

Chemical Property:

• XLogP3: 3.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 279.162314293
• Heavy Atom Count: 21
• Complexity: 378

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC12CCCC1(NC3=CC=CC=C23)C4=CC=CC=C4

Technology Process of 8b-Ethoxy-3a-phenyl-1,2,3,3a,4,8b-hexahydrocyclopenta[b]indole

There total 2 articles about 8b-Ethoxy-3a-phenyl-1,2,3,3a,4,8b-hexahydrocyclopenta[b]indole 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:

1-cyclobutyl-1-phenyl-methanone (5407-98-7) → 8b-ethoxy-1,2,3,3a,4,8b-hexahydro-3a-phenylcyclopentindole (105246-83-1)

Guidance literature:

Multi-step reaction with 2 steps

1: benzene / 5 h / Heating

2: dry hydrogen chloride / 0 °C

With hydrogenchloride; In benzene;

Reference yield:

cyclobutyl phenyl ketone phenylhydrazone (113423-45-3) + acetaldehyde (75-07-0,9002-91-9) → 8b-ethoxy-1,2,3,3a,4,8b-hexahydro-3a-phenylcyclopentindole (105246-83-1)

Guidance literature:

With hydrogenchloride; at 0 ℃; Yield given;

upstream raw materials:

cyclobutyl phenyl ketone phenylhydrazone

acetaldehyde

1-cyclobutyl-1-phenyl-methanone

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