1,3,5-Trimethylnaphthalene

Base Information

• Chemical Name: 1,3,5-Trimethylnaphthalene
• CAS No.: 2131-39-7
• Molecular Formula: C13H14
• Molecular Weight: 170.254
• European Community (EC) Number: 218-355-7
• UNII: 593FD43TKT
• DSSTox Substance ID: DTXSID90175574
• Nikkaji Number: J298.717A
• Mol file: 2131-39-7.mol

Synonyms:1,3,5-Trimethylnaphthalene;2131-39-7;Naphthalene, 1,3,5-trimethyl-;593FD43TKT;EINECS 218-355-7;UNII-593FD43TKT;DTXSID90175574;AKOS006272250

Chemical Property of 1,3,5-Trimethylnaphthalene

Chemical Property:

• Vapor Pressure: 0.00552mmHg at 25°C
• Refractive Index: 1.594
• Boiling Point: 283.1 °C at 760 mmHg
• Flash Point: 125 °C
• Density: 0.987 g/cm³
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 170.109550447
• Heavy Atom Count: 13
• Complexity: 173

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C2C=C(C=C(C2=CC=C1)C)C

Technology Process of 1,3,5-Trimethylnaphthalene

There total 17 articles about 1,3,5-Trimethylnaphthalene 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:

toluene (108-88-3,15644-74-3,16713-13-6) → 1,3,5-Trimethylnaphthalene (2131-39-7)

Guidance literature:

Multi-step reaction with 3 steps

1: AlCl₃

2: oxirane, 4N>Br

3: H₂, NaOH / Pd-C / methanol

With oxirane; sodium hydroxide; aluminium trichloride; tetraethylammonium bromide; hydrogen; palladium on activated charcoal; In methanol;

Reference yield:

1,5,7-trimethyl-1,2-dihydro-naphthalene → 1,3,5-Trimethylnaphthalene (2131-39-7)

Guidance literature:

With palladium on activated charcoal;

DOI:10.1021/ja01130a032

Reference yield:

2-Chlor-1,3,5-trimethyl-naphthalin (21866-40-0) → 1,3,5-Trimethylnaphthalene (2131-39-7)

Guidance literature:

With sodium hydroxide; hydrogen; palladium on activated charcoal; In methanol;

upstream raw materials:

methyl magnesium iodide

5,7-dimethyltetralone

3,4-dihydro-1,5,7,trimethylnaphtahlene

2-Chlor-1,3,5-trimethyl-naphthalin

Refernces