2-[Cyclohexyl(hydroxy)methylidene]-5,5-dimethylcyclohexane-1,3-dione

Base Information

• Chemical Name: 2-[Cyclohexyl(hydroxy)methylidene]-5,5-dimethylcyclohexane-1,3-dione
• CAS No.: 93098-86-3
• Molecular Formula: C₁₅H₂₂O₃
• Molecular Weight: 250.338
• DSSTox Substance ID: DTXSID50535453
• Mol file: 93098-86-3.mol

Synonyms:93098-86-3;DTXSID50535453;2-[cyclohexyl(hydroxy)methylidene]-5,5-dimethylcyclohexane-1,3-dione

Chemical Property of 2-[Cyclohexyl(hydroxy)methylidene]-5,5-dimethylcyclohexane-1,3-dione

Chemical Property:

• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 250.15689456
• Heavy Atom Count: 18
• Complexity: 376

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CC(=O)C(=C(C2CCCCC2)O)C(=O)C1)C

Technology Process of 2-[Cyclohexyl(hydroxy)methylidene]-5,5-dimethylcyclohexane-1,3-dione

There total 4 articles about 2-[Cyclohexyl(hydroxy)methylidene]-5,5-dimethylcyclohexane-1,3-dione 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: 48.0%

2-(Cyclohexylmorpholinomethylen)-5,5-dimethyl-1,3-cyclohexandion (93098-84-1) → 2-(Cyclohexylhydroxymethylen)-5,5-dimethyl-1,3-cyclohexandion (93098-86-3)

Guidance literature:

With hydrogenchloride; In diethyl ether; for 0.5h; Ambient temperature;

Reference yield:

3-Hydroxy-5,5-dimethyl-2-(endo-morpholinobicyclo<4.1.0>hept-7-yl)-2-cyclohexen-1-on (81927-28-8) → 2-(Cyclohexylhydroxymethylen)-5,5-dimethyl-1,3-cyclohexandion (93098-86-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 72 h / Heating

2: 1 molar aq. NaHSO₄ / 1 h

With sodium hydrogen sulfate;

DOI:10.1007/BF00815330

Reference yield:

7-exo-Methoxy-7-morpholino-bicyclo<4.1.0>heptan (71672-42-9) → 2-(Cyclohexylhydroxymethylen)-5,5-dimethyl-1,3-cyclohexandion (93098-86-3)

Guidance literature:

Multi-step reaction with 3 steps

1: 86 percent / acetonitrile / 20 h / 20 °C

2: 72 h / Heating

3: 1 molar aq. NaHSO₄ / 1 h

With sodium hydrogen sulfate; In acetonitrile;

DOI:10.1007/BF00815330

upstream raw materials:

2-(Cyclohexylmorpholinomethylen)-5,5-dimethyl-1,3-cyclohexandion

7-exo-Methoxy-7-morpholino-bicyclo<4.1.0>heptan

dimedone

3-Hydroxy-5,5-dimethyl-2-(endo-morpholinobicyclo<4.1.0>hept-7-yl)-2-cyclohexen-1-on