(Methylphenyl)naphthalene

Base Information

• Chemical Name: (Methylphenyl)naphthalene
• CAS No.: 14476-01-8
• Molecular Formula: C17H14
• Molecular Weight: 218.298
• DSSTox Substance ID: DTXSID00388496
• Nikkaji Number: J1.331.435G
• Wikidata: Q82183508
• Mol file: 14476-01-8.mol

Synonyms:(Methylphenyl)naphthalene;1-(2-methylphenyl)naphthalene;Naphthalene, (methylphenyl)-;14476-01-8;52991-56-7;o-Toluylnaphthalin;Naphthalene, 1-(2-methylphenyl)-;2-(1-Naphthyl)toluene;DTXSID00388496;DRFPSPRQWNZEMK-UHFFFAOYSA-N

Chemical Property of (Methylphenyl)naphthalene

Chemical Property:

• Melting Point: 63 °C
• Boiling Point: 334.6±17.0 °C(Predicted)
• PSA: 0.00000
• Density: 1.064±0.06 g/cm3(Predicted)
• LogP: 4.81520
• XLogP3: 5.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 218.109550447
• Heavy Atom Count: 17
• Complexity: 244

Purity/Quality:

1-(2-Methylphenyl)naphthalene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC=CC=C1C2=CC=CC3=CC=CC=C32

Technology Process of (Methylphenyl)naphthalene

There total 54 articles about (Methylphenyl)naphthalene 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%

1-Bromonaphthalene (90-11-9) + 2-Methylphenylboronic acid (16419-60-6) → 1-o-tolylnaphthalene (14476-01-8)

Guidance literature:

2-Methylphenylboronic acid; With potassium phosphate; 2C₂F₆NO₄S₂^(1-)*C₄₄H₆₆Cl₂N₂P₂Pd⁽²⁺⁾; 1-butyl-methylpyrrolidinium bis(trifluoromethylsulfonyl)amide; In water; at 65 ℃; Inert atmosphere;

1-Bromonaphthalene; In water; at 65 ℃; for 2h; Inert atmosphere;

DOI:10.1039/b815568b

Reference yield: 99.0%

2-Methylphenylboronic acid (16419-60-6) + 1-Chloronaphthalene (90-13-1) → 1-o-tolylnaphthalene (14476-01-8)

Guidance literature:

2-Methylphenylboronic acid; With potassium phosphate; N,N-diisopropyl 2-dicyclohexylphosphino-5-(3'-nitrophenyl)benzamide; palladium diacetate; In tetrahydrofuran; at 23 ℃; for 0.0166667h; Inert atmosphere;

1-Chloronaphthalene; In tetrahydrofuran; water; at 23 ℃; for 18h; Inert atmosphere;

DOI:10.1002/chem.200800318

Reference yield: 99.0%

2-methylphenyl bromide (95-46-5) + 1-Naphthylboronic acid (13922-41-3) → 1-o-tolylnaphthalene (14476-01-8)

Guidance literature:

With potassium phosphate; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; dicyclohexyl(1-(naphtho[2,3-b]furan-9-yl)naphthalen-2-yl)phosphine; In toluene; at 80 ℃; for 0.5h; Inert atmosphere; Schlenk technique;

DOI:10.1039/c8nj00412a

upstream raw materials:

1-(2-methyl-cyclohex-1-enyl)-naphthalene

4-o-tolyl-naphthalene-1,2-dicarboxylic acid-anhydride

4-(2-methylphenyl)-1,2-dihydronaphthalene

1-o-Tolyl-1,2,3,4-tetrahydro-[1]naphthol