4-(4-Methylphenyl)cyclohexanone

Base Information

• Chemical Name: 4-(4-Methylphenyl)cyclohexanone
• CAS No.: 40503-90-0
• Molecular Formula: C13H16O
• Molecular Weight: 188.269
• European Community (EC) Number: 609-837-1
• DSSTox Substance ID: DTXSID50561550
• Nikkaji Number: J3.016.876C
• Wikidata: Q72494757
• Mol file: 40503-90-0.mol

Synonyms:4-(4-Methylphenyl)cyclohexanone;40503-90-0;4-(4-Methylphenyl)cyclohexan-1-one;4-(p-tolyl)cyclohexanone;4-p-Tolyl cyclohexanone;4-(p-Tolyl)cyclohexan-1-one;SCHEMBL3533675;DTXSID50561550;XDHMORMQXOUOHT-UHFFFAOYSA-N;MFCD14584461;4-(p-Tolyl)cyclohexanone, >/=98%;AKOS015917451;SB66525;s10247;AS-60595;T3418;EN300-333387;A873320;Z1255358168

Chemical Property of 4-(4-Methylphenyl)cyclohexanone

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 313.851°C at 760 mmHg
• Flash Point: 133.339°C
• PSA: 17.07000
• Density: 1.026
• LogP: 3.22170
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: soluble in Methanol
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 188.120115130
• Heavy Atom Count: 14
• Complexity: 191

Purity/Quality:

97% ^*data from raw suppliers

4-(4-Methylphenyl)cyclohexanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C2CCC(=O)CC2

Technology Process of 4-(4-Methylphenyl)cyclohexanone

There total 16 articles about 4-(4-Methylphenyl)cyclohexanone 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: 90.0%

8-p-tolyl-1,4-dioxa-spiro[4.5]decane (174911-69-4) → 4-(4-methylphenyl)cyclohexan-1-one (40503-90-0)

Guidance literature:

With iron(III) chloride hexahydrate; In dichloromethane; acetone; at 20 ℃; for 3.5h;

DOI:10.1016/j.bmcl.2014.10.060

Reference yield: 89.8%

4-(4-methylphenyl)cyclohexanol → 4-(4-methylphenyl)cyclohexan-1-one (40503-90-0)

Guidance literature:

4-(4-methylphenyl)cyclohexanol; With 4-amino-2,2,6,6-tetramethylpiperidine-N-oxyl; sodium hydrogencarbonate; In dichloromethane; water; at 10 ℃; for 0.25h;

With trichloroisocyanuric acid; In dichloromethane; water; for 5h;

Reference yield: 84.1%

4-benzyloxy-4'?-methylbiphenyl → 4-(4-methylphenyl)cyclohexan-1-one (40503-90-0)

Guidance literature:

4-benzyloxy-4'?-methylbiphenyl; With 5%-palladium/activated carbon; hydrogen; In ethanol; water; at 30 - 105 ℃; for 6h; under 750.075 - 6000.6 Torr; Autoclave;

With sodium hypochlorite; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; sodium hydrogencarbonate; potassium bromide; In dichloromethane; at 0 - 10 ℃; for 1h;

upstream raw materials:

4-hydroxy-4-(p-tolyl)cyclohexan-1-one

8-p-tolyl-1,4-dioxa-spiro[4.5]decane

8-(4-methyl-phenyl)-1,4-dioxaspiro[4.5]dec-7-ene

8-(p-tolyl)-1,4-dioxaspiro[4.5]decan-8-ol

Downstream raw materials:

C₁₆H₁₄N₂OS

C₂₀H₁₄N₂O₂S

C₂₀H₁₆N₂O₃S

C₁₆H₁₈N₂OS