4-Methyl-4-phenylcyclohexanone

Base Information

• Chemical Name: 4-Methyl-4-phenylcyclohexanone
• CAS No.: 18932-33-7
• Molecular Formula: C13H16O
• Molecular Weight: 188.269
• Hs Code.: 2914399090
• European Community (EC) Number: 959-789-3
• DSSTox Substance ID: DTXSID60481492
• Wikidata: Q82316934
• Mol file: 18932-33-7.mol

Synonyms:4-methyl-4-phenylcyclohexanone;18932-33-7;4-methyl-4-phenylcyclohexan-1-one;Cyclohexanone, 4-methyl-4-phenyl-;SCHEMBL7810392;DTXSID60481492;XPRFFLCYHYODMZ-UHFFFAOYSA-N;AKOS016844481;CS-0308154;EN300-109872;J-515753;Z1255435762

Chemical Property of 4-Methyl-4-phenylcyclohexanone

Chemical Property:

• Boiling Point: 295.6±29.0 °C(Predicted)
• PSA: 17.07000
• Density: 1.014±0.06 g/cm3(Predicted)
• LogP: 3.08740
• Storage Temp.: 2-8°C
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 188.120115130
• Heavy Atom Count: 14
• Complexity: 203

Purity/Quality:

≥95% ^*data from raw suppliers

4-Methyl-4-phenylcyclohexanone 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CCC(=O)CC1)C2=CC=CC=C2

Technology Process of 4-Methyl-4-phenylcyclohexanone

There total 4 articles about 4-Methyl-4-phenylcyclohexanone 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:

8-methyl-8-phenyl-1,4-dioxa-spiro[4.5]decane (56327-25-4) → 4-methyl-4-phenylcyclohexan-1-one (18932-33-7)

Guidance literature:

With hydrogenchloride; In acetone;

Reference yield:

4-methyl-4-phenylcyclohex-2-enone (17429-36-6) → 4-methyl-4-phenylcyclohexan-1-one (18932-33-7)

Guidance literature:

With hydrogen; palladium on activated charcoal;

DOI:10.1021/jm00319a030

Reference yield:

2-Phenylpropanal (34713-70-7) → 4-methyl-4-phenylcyclohexan-1-one (18932-33-7)

Guidance literature:

Multi-step reaction with 2 steps

1: NaOMe, MeOH

2: H₂ / Pd-C

With methanol; hydrogen; sodium methylate; palladium on activated charcoal;

DOI:10.1021/jm00319a030

upstream raw materials:

4-methyl-4-phenylcyclohex-2-enone

2-Phenylpropanal

8-methyl-8-phenyl-1,4-dioxa-spiro[4.5]decane

Downstream raw materials:

2-(1-Hydroxy-4-methyl-4-phenyl-cyclohexyl)-propionic acid ethyl ester

4-Methyl-4-phenyl-1,1-dimethoxycyclohexan

5-Methyl-2-oxo-5-phenyl-cyclohexanecarboxylic acid methyl ester

<2S^*(R^*),3(cis)>-6-methyl-6-phenyl-2-(1'-phenylethyl)-1-oxa-2-azaspiro<2.5>octane

Refernces

• 1、 -. "4-Arylcyclohexylamines". . . Retrieved 2008/06/13.