cis-2-Cyclohexyl-3-hydroxy-3a,4,5,6,7,7a-hexahydroinden-1-one

Base Information

• Chemical Name: cis-2-Cyclohexyl-3-hydroxy-3a,4,5,6,7,7a-hexahydroinden-1-one
• CAS No.: 871482-76-7
• Molecular Formula: C₁₅H₂₂O₂
• Molecular Weight: 234.338
• DSSTox Substance ID: DTXSID20467515
• Wikidata: Q82294486
• Mol file: 871482-76-7.mol

Synonyms:cis-2-Cyclohexyl-3-hydroxy-3a,4,5,6,7,7a-hexahydroinden-1-one;871482-76-7;DTXSID20467515;1H-Inden-1-one,2-cyclohexyl-3a,4,5,6,7,7a-hexahydro-3-hydroxy-,(3ar,7as)-rel-

Chemical Property of cis-2-Cyclohexyl-3-hydroxy-3a,4,5,6,7,7a-hexahydroinden-1-one

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 376.293°C at 760 mmHg
• Flash Point: 160.636°C
• PSA: 37.30000
• Density: 1.151g/cm³
• LogP: 3.76790
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 234.161979940
• Heavy Atom Count: 17
• Complexity: 350

Purity/Quality:

99% ^*data from raw suppliers

CIS-2-CYCLOHEXYL-3-HYDROXY-3-ALPHA-4,5,6,7,7-ALPHA-HEXAHYDROINDEN-1-ONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(CC1)C2=C(C3CCCCC3C2=O)O
• Isomeric SMILES: C1CCC(CC1)C2=C([C@@H]3CCCC[C@@H]3C2=O)O

Technology Process of cis-2-Cyclohexyl-3-hydroxy-3a,4,5,6,7,7a-hexahydroinden-1-one

There total 3 articles about cis-2-Cyclohexyl-3-hydroxy-3a,4,5,6,7,7a-hexahydroinden-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:

7,8-Bis-(trimethylsilyloxy)-cis-bicyclo<4.2.0>octen-(7) (18014-23-8) → (3aR,7aS)-2-Cyclohexyl-3-hydroxy-3a,4,5,6,7,7a-hexahydro-inden-1-one (871482-76-7)

Guidance literature:

Multi-step reaction with 2 steps

1: BF₃*Et₂O / CH₂Cl₂ / -78 - 20 °C

2: Amberlyst 15; TFA / 10 h / Heating

With Amberlyst 15; boron trifluoride diethyl etherate; trifluoroacetic acid; In dichloromethane;

DOI:10.1021/jo051683+

Reference yield:

cyclohexanecarboxaldehyde diethylacetal (14315-64-1) → (3aR,7aS)-2-Cyclohexyl-3-hydroxy-3a,4,5,6,7,7a-hexahydro-inden-1-one (871482-76-7)

Guidance literature:

Multi-step reaction with 2 steps

1: BF₃*Et₂O / CH₂Cl₂ / -78 - 20 °C

2: Amberlyst 15; TFA / 10 h / Heating

With Amberlyst 15; boron trifluoride diethyl etherate; trifluoroacetic acid; In dichloromethane;

DOI:10.1021/jo051683+

Reference yield:

(1R,6S)-8-(Cyclohexyl-ethoxy-methyl)-8-hydroxy-bicyclo[4.2.0]octan-7-one → (3aR,7aS)-2-Cyclohexyl-3-hydroxy-3a,4,5,6,7,7a-hexahydro-inden-1-one (871482-76-7)

Guidance literature:

With Amberlyst 15; trifluoroacetic acid; for 10h; Heating;

DOI:10.1021/jo051683+

upstream raw materials:

7,8-Bis-(trimethylsilyloxy)-cis-bicyclo<4.2.0>octen-(7)

cyclohexanecarboxaldehyde diethylacetal

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