1,2,6-Trimethylnaphthalene

Base Information

• Chemical Name: 1,2,6-Trimethylnaphthalene
• CAS No.: 3031-05-8
• Molecular Formula: C13H14
• Molecular Weight: 170.254
• Hs Code.: 2902909090
• European Community (EC) Number: 221-204-8
• UNII: C19DIO9D5W
• DSSTox Substance ID: DTXSID40184398
• Nikkaji Number: J205.339J
• Wikidata: Q27275054
• Mol file: 3031-05-8.mol

Synonyms:1,2,6-Trimethylnaphthalene;3031-05-8;C19DIO9D5W;Naphthalene, 1,2,6-trimethyl-;EINECS 221-204-8;UNII-C19DIO9D5W;1,2,6-trimethyl-naphthalene;1,2,6-Trimethyl naphthalene;DTXSID40184398;AKOS006273910;FT-0690810;Q27275054

Chemical Property of 1,2,6-Trimethylnaphthalene

Chemical Property:

• Vapor Pressure: 0.00391mmHg at 25°C
• Melting Point: 14°C
• Refractive Index: 1.5990
• Boiling Point: 289°Cat760mmHg
• Flash Point: 129.6°C
• PSA: 0.00000
• Density: 0.987g/cm³
• LogP: 3.76500
• XLogP3: 4.7
• 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

1,2,6-TRIMETHYLNAPHTHALENE 98.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=C(C=C1)C(=C(C=C2)C)C

Technology Process of 1,2,6-Trimethylnaphthalene

There total 17 articles about 1,2,6-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:

→ 1,2,6-trimethylnaphthalene (3031-05-8)

Guidance literature:

With selenium; at 250 - 280 ℃;

DOI:10.1021/ja01271a050 DOI:10.1002/hlca.19470300625 DOI:10.1002/hlca.193301601141

Reference yield:

2,2-dimethylsuccinic anhydride (17347-61-4) → 1,2,6-trimethylnaphthalene (3031-05-8)

Guidance literature:

Multi-step reaction with 5 steps

1: 2.) H₂, 3.) Zn-Hg, HCl

2: polyphosphoric acid / 90 °C

3: diethyl ether

4: H₂ / Pd/C / ethanol / 760 Torr

5: Pd/C / 300 °C

With hydrogenchloride; PPA; hydrogen; mercury; zinc; palladium on activated charcoal; In diethyl ether; ethanol;

DOI:10.1039/c39920001712

Reference yield:

2,3-dimethylphenylmagnesium bromide (134640-85-0) → 1,2,6-trimethylnaphthalene (3031-05-8)

Guidance literature:

Multi-step reaction with 5 steps

1: 2.) H₂, 3.) Zn-Hg, HCl

2: polyphosphoric acid / 90 °C

3: diethyl ether

4: H₂ / Pd/C / ethanol / 760 Torr

5: Pd/C / 300 °C

With hydrogenchloride; PPA; hydrogen; mercury; zinc; palladium on activated charcoal; In diethyl ether; ethanol;

DOI:10.1039/c39920001712

upstream raw materials:

1-chloromethyl-2,6-dimethyl-naphthalene

1-bromomethyl-2,6-dimethyl-naphthalene

1,6-Dimethyl-2-hydroxymethyl-naphthalin

1,2,2,5,6-pentamethyltetralin

Refernces

• 1、 Ruzicka,Seidel,Schinz. "". . p. 1143,1153. Retrieved 1933.