3,4-Dihydro-2-methyl-2-phenyl-1(2H)-naphthalenone

Base Information

• Chemical Name: 3,4-Dihydro-2-methyl-2-phenyl-1(2H)-naphthalenone
• CAS No.: 94540-42-8
• Molecular Formula: C₁₇H₁₆O
• Molecular Weight: 236.313
• DSSTox Substance ID: DTXSID301233756
• Nikkaji Number: J956.514K
• Mol file: 94540-42-8.mol

Synonyms:SCHEMBL5608198;DTXSID301233756;94540-42-8;3,4-Dihydro-2-methyl-2-phenyl-1(2H)-naphthalenone

Chemical Property of 3,4-Dihydro-2-methyl-2-phenyl-1(2H)-naphthalenone

Chemical Property:

• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 236.120115130
• Heavy Atom Count: 18
• Complexity: 316

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1(CCC2=CC=CC=C2C1=O)C3=CC=CC=C3

Technology Process of 3,4-Dihydro-2-methyl-2-phenyl-1(2H)-naphthalenone

There total 10 articles about 3,4-Dihydro-2-methyl-2-phenyl-1(2H)-naphthalenone 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: 81.0%

2-(3-phenylbut-3-en-1-yl)benzaldehyde (1119036-78-0) → (±)-2-methyl-2-phenyl-3,4-dihydronaphthalin-1(2H)-one (94540-42-8)

Guidance literature:

With 3-(2,4,6-trimethyl-phenyl)-5,6,7,8-tetrahydro-4H-cycloheptathiazol-3-ium perchlorate; 1,8-diazabicyclo[5.4.0]undec-7-ene; In 1,4-dioxane; at 120 ℃; for 2h; Inert atmosphere;

DOI:10.1002/anie.201412302

Reference yield: 66.0%

bromobenzene (108-86-1,52753-63-6) + 2-methyl-1-tetralone (1590-08-5) → (±)-2-methyl-2-phenyl-3,4-dihydronaphthalin-1(2H)-one (94540-42-8)

Guidance literature:

With palladium; (S)-(1,1'-binaphthalene)-2,2'-diylbis(diphenylphosphine); sodium t-butanolate; In toluene; at 100 ℃;

DOI:10.1021/ja973794z

Reference yield: 44.0%

iodobenzene (591-50-4) + 2-methyl-1-tetralone (1590-08-5) → (±)-2-methyl-2-phenyl-3,4-dihydronaphthalin-1(2H)-one (94540-42-8)

Guidance literature:

With bis(dibenzylideneacetone)-palladium⁽⁰⁾; sodium t-butanolate; In toluene; at 100 ℃; for 24h; Inert atmosphere;

DOI:10.1002/adsc.201100669

upstream raw materials:

2-phenyl-3,4-dihydro-2H-naphthalen-1-one

methyl iodide

bromobenzene

2-methyl-1-tetralone

Downstream raw materials:

2-methyl-1-phenylnaphthalene

2-methyl-1-phenyl-3,4-dihydronaphthalene

n-butyl-6 methyl-2 phenyl-2 tetralone-1

2-Methyl-2-phenyl-tetralol-⁽¹⁾