5-Cyclohexyl-2,3-dihydro-1H-inden-1-one

Base Information

• Chemical Name: 5-Cyclohexyl-2,3-dihydro-1H-inden-1-one
• CAS No.: 38240-91-4
• Molecular Formula: C15H18O
• Molecular Weight: 214.307
• DSSTox Substance ID: DTXSID40497031
• Nikkaji Number: J20.954F
• Mol file: 38240-91-4.mol

Synonyms:38240-91-4;5-Cyclohexyl-1-indanone;5-Cyclohexyl-2,3-dihydro-1H-inden-1-one;DTXSID40497031

Chemical Property of 5-Cyclohexyl-2,3-dihydro-1H-inden-1-one

Chemical Property:

• PSA: 17.07000
• LogP: 3.86320
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 214.135765193
• Heavy Atom Count: 16
• Complexity: 265

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(CC1)C2=CC3=C(C=C2)C(=O)CC3

Technology Process of 5-Cyclohexyl-2,3-dihydro-1H-inden-1-one

There total 2 articles about 5-Cyclohexyl-2,3-dihydro-1H-inden-1-one 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-phenyl-1-cyclohexane (827-52-1,5379-26-0) + 2-chloropropionyl chloride (625-36-5) → 5-Cyclohexyl-1-indanone (38240-91-4)

Guidance literature:

Multistep reaction; (i) AlCl₃, CS₂, (ii) H₂SO₄;

DOI:10.1021/jm00282a024

Reference yield:

→ 5-Cyclohexyl-1-indanone (38240-91-4)

Guidance literature:

β-Chlorpropionylchlorid, Cyclohexylbenzol, AlCl3;

Reference yield: 88.0%

5-Cyclohexyl-1-indanone (38240-91-4) + oxalic acid diethyl ester (95-92-1) → ethyl 2-(5-cyclohexyl-1-oxo-2,3-dihydro-1H-inden-2-yl)-2-oxoacetate

Guidance literature:

With sodium ethanolate; In ethanol; at 20 ℃; for 5h; Inert atmosphere;

DOI:10.1016/j.ejmech.2016.02.005

upstream raw materials:

1-phenyl-1-cyclohexane

2-chloropropionyl chloride

Downstream raw materials:

5-Cyclohexyl-1-indancarboxylic acid

estrogen

(1R)-(+)-5-Cyclohexylindan-1-carbonsaeure

5-Cyclohexyl-indan-1-carbaldehyde