4-(2-Methylphenyl)cyclohexanone

Base Information

• Chemical Name: 4-(2-Methylphenyl)cyclohexanone
• CAS No.: 40503-88-6
• Molecular Formula: C₁₃H₁₆O
• Molecular Weight: 188.269
• DSSTox Substance ID: DTXSID901304258
• Nikkaji Number: J2.071.171J
• Mol file: 40503-88-6.mol

Synonyms:4-(2-methylphenyl)cyclohexanone;4-(o-Tolyl)cyclohexan-1-one;40503-88-6;4-(o-Tolyl)cyclohexanone;SCHEMBL3540165;DXLIAYMTYKXAKB-UHFFFAOYSA-N;DTXSID901304258;AKOS019066684;DB-339638;A1-67449

Chemical Property of 4-(2-Methylphenyl)cyclohexanone

Chemical Property:

• Melting Point: 65-67 °C
• Boiling Point: 314.5±31.0 °C(Predicted)
• Density: 1.026±0.06 g/cm3(Predicted)
• 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: 199

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC=CC=C1C2CCC(=O)CC2

Technology Process of 4-(2-Methylphenyl)cyclohexanone

There total 12 articles about 4-(2-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: 99.0%

C15H20O2 → 4-(2-methylphenyl)cyclohexan-1-one (40503-88-6)

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: 83.0%

4-bromocyclohexan-1-one (22460-52-2) + trifluoro(2-tolyl)silane (363-86-0) → 4-(2-methylphenyl)cyclohexan-1-one (40503-88-6)

Guidance literature:

With nickel(II) bromide diethylene glycol dimethyl ether; bathophenanthroline; cesium fluoride; In dimethyl sulfoxide; at 60 ℃; for 20h;

DOI:10.1021/ja047433c

Reference yield:

2'-methyl-2,5-dihydro-[1,1'-biphenyl]-4(3H)-one (1297474-27-1) → 4-(2-methylphenyl)cyclohexan-1-one (40503-88-6)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In ethyl acetate; at 20 ℃; for 24h; under 760.051 Torr;

DOI:10.1021/jm800965b

upstream raw materials:

4-o-Tolyl-4-hydroxycyclohexanon

4-bromocyclohexan-1-one

trifluoro(2-tolyl)silane

2-methylphenyl bromide

Downstream raw materials:

C₁₆H₁₄N₂OS

C₂₀H₁₄N₂O₂S

C₂₀H₁₆N₂O₃S

C₁₆H₁₈N₂OS

Refernces

• 1、 -. "NOVEL 5 or 8-SUBSTITUTED IMIDAZO [1, 5-a] PYRIDINES AS SELECTIVE INHIBITORS OF INDOLEAMINE AND/OR TRYPTOPHANE 2, 3-DIOXYGENASES". . . Retrieved 2018/04/20.
• 2、 Vilums,Zweemer,Dekkers,Askar,De Vries,Saunders,Stamos,Brussee,Heitman,Ijzerman. "Design and synthesis of novel small molecule CCR2 antagonists: Evaluation of 4-aminopiperidine derivatives". . p. 5377 - 5380. Retrieved 2015/01/09.