2-Methyl-6-(phenylmethylene)cyclohexan-1-one

Base Information

• Chemical Name: 2-Methyl-6-(phenylmethylene)cyclohexan-1-one
• CAS No.: 6324-75-0
• Molecular Formula: C₁₄H₁₆O
• Molecular Weight: 200.28
• European Community (EC) Number: 228-687-4
• NSC Number: 29114
• Mol file: 6324-75-0.mol

Synonyms:2-Methyl-6-(phenylmethylene)cyclohexan-1-one;EINECS 228-687-4;6324-75-0;NSC29114;Cyclohexanone, 2-methyl-6-(phenylmethylene)-;SCHEMBL3437935;NSC 29114;NSC-29114

Chemical Property of 2-Methyl-6-(phenylmethylene)cyclohexan-1-one

Chemical Property:

• Vapor Pressure: 0.000118mmHg at 25°C
• Boiling Point: 335.7°C at 760 mmHg
• Flash Point: 142.1°C
• PSA: 17.07000
• Density: 1.05g/cm³
• LogP: 3.45910
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 200.120115130
• Heavy Atom Count: 15
• Complexity: 259

Purity/Quality:

99% ^*data from raw suppliers

(2E)-2-BENZYLIDENE-6-METHYLCYCLOHEXANONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Aromatic Ketones
• Canonical SMILES: CC1CCCC(=CC2=CC=CC=C2)C1=O
• Isomeric SMILES: CC1CCC/C(=C/C2=CC=CC=C2)/C1=O

Technology Process of 2-Methyl-6-(phenylmethylene)cyclohexan-1-one

There total 8 articles about 2-Methyl-6-(phenylmethylene)cyclohexan-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: 52.0%

benzaldehyde (100-52-7) + 2-Methylcyclohexanone (583-60-8) → 6-benzylidene-2-methylcyclohexan-1-one (1208-47-5,1450-67-5,54146-11-1,6324-75-0)

Guidance literature:

With potassium fluoride; tetramethylorthosilicate; In N,N-dimethyl-formamide; at 70 ℃; for 5h;

DOI:10.1055/s-1983-30309

Reference yield: 51.0%

methanol (67-56-1) + 2-Benzylidenecyclohexanone (5682-83-7) → 6-benzylidene-2-methylcyclohexan-1-one (1208-47-5,1450-67-5,54146-11-1,6324-75-0)

Guidance literature:

With [(N,N′-bis(diisopropylphosphino)-2,6-diaminopyridine)Mn(CO)₃][Br]; sodium t-butanolate; In toluene; at 120 ℃; for 20h; Inert atmosphere; Glovebox; Sealed tube;

DOI:10.1039/c8cc08064j

Reference yield:

3-methylcyclohexane-1,2-dione (3008-43-3) + benzaldehyde (100-52-7) → 6-benzylidene-2-methylcyclohexan-1-one (1208-47-5,1450-67-5,54146-11-1,6324-75-0)

Guidance literature:

With potassium hydroxide; In water; for 3h; Reflux;

DOI:10.1002/asia.201901620

upstream raw materials:

sodium ethanolate

benzaldehyde

2-Methylcyclohexanone

6-methyl-1-trimethylsiloxycyclohex-1-ene

Downstream raw materials:

2-benzyl-6-methylcyclohexan-1-one

2-benzyl-6-methyl-cyclohex-2-enone

6-Benzyl-2-methyl-cyclohex-2-en-1-on

4-hydroxy-3-<α-(3-methyl-2-oxocyclohexyl)benzyl>coumarin