1,4,6-Trimethylnaphthalene

Base Information

• Chemical Name: 1,4,6-Trimethylnaphthalene
• CAS No.: 2131-42-2
• Molecular Formula: C13H14
• Molecular Weight: 170.254
• Hs Code.: 2902909090
• European Community (EC) Number: 218-357-8
• NSC Number: 91460
• UNII: QZR768DQFJ
• DSSTox Substance ID: DTXSID10175576
• Nikkaji Number: J298.719H
• Wikidata: Q27287578
• Mol file: 2131-42-2.mol

Synonyms:1,4,6-TRIMETHYLNAPHTHALENE;2131-42-2;Naphthalene, 1,4,6-trimethyl-;QZR768DQFJ;NSC-91460;NSC91460;1,6-Trimethylnaphthalene;UNII-QZR768DQFJ;Naphthalene,4,6-trimethyl-;NCIOpen2_001374;DTXSID10175576;EINECS 218-357-8;NSC 91460;AKOS006273911;FT-0739020;Q27287578

Chemical Property of 1,4,6-Trimethylnaphthalene

Chemical Property:

• Vapor Pressure: 0.0062mmHg at 25°C
• Melting Point: 47.46°C (estimate)
• Refractive Index: 1.6070 (estimate)
• Boiling Point: 281.1°Cat760mmHg
• Flash Point: 123.4°C
• PSA: 0.00000
• Density: 0.987g/cm³
• LogP: 3.76500
• 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

1,4,6-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=CC(=C2C=C1)C)C

Technology Process of 1,4,6-Trimethylnaphthalene

There total 24 articles about 1,4,6-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:

3-benzyl-5-methyldihydrofuran-2(3H)-one → 2-Isopropylnaphthalene (2027-17-0) + 1-ethyl-2,3-dihydro-1H-indene (4830-99-3,137823-77-9,137823-78-0) + 2.6-dimethylnaphthalene (581-42-0) + INDANE (496-11-7) + 1-methyl-1,2,3,4-tetrahydronaphthalene (1559-81-5) + 1-pentenylbenzene (826-18-6) + 1-phenylpenta-1,3-diene (1608-27-1) + 1,4-dimethylnaphthalene (571-58-4) + 1,6,7-trimethylnaphthalene (2245-38-7) + 1,4,6-trimethylnaphthalene (2131-42-2) + 1,4,5-trimethylnaphthalene (2131-41-1) + 2-methyltetralin (3877-19-8) + 6-methyl-1,2,3,4-tetrahydronaphthalene (1680-51-9) + C13H18 + 1-Methylnaphthalene (90-12-0,34475-76-8) + 2-Methylnaphthalene (91-57-6,34468-07-0)

Guidance literature:

at 349.84 ℃; under 750.075 Torr;

DOI:10.1039/d1gc02119b

Reference yield:

1-ethyl-8,9-benzospiro<4,6>undecane (219661-48-0) → 1-ethylnapthelene (1127-76-0) + dimethyl-1,2 naphtalene (573-98-8) + 1,4,6-trimethylnaphthalene (2131-42-2) + 2-Methylnaphthalene (91-57-6,34468-07-0)

Guidance literature:

With palladium on activated charcoal; at 380 - 400 ℃; for 14h; Further byproducts given. Title compound not separated from byproducts;

Reference yield:

2,5,8-trimethyl-3,4-dihydro-1(2H)-naphthalenone (10468-59-4) → 1,4,6-trimethylnaphthalene (2131-42-2)

Guidance literature:

Multi-step reaction with 2 steps

1: LiAlH₄

2: Pd-C / 270 °C

With lithium aluminium tetrahydride; palladium on activated charcoal;

DOI:10.1021/jo00804a016

upstream raw materials:

1,2-dihydro-1,4,6-trimethyl-naphthalene

4-chloromethyl-1,6-dimethyl-naphthalene

1-chloromethyl-4,6-dimethyl-naphthalene

(E)-5-Cyclohepta-2,4,6-trienyl-hex-3-en-2-one

Refernces

• 1、 Lahiri, Sikha,Pal, Panchanan,Chatterjee, Gautam,Maity, Basudev,Sen. "Studies in catalytic dehydrogenation: Part X1 - Syntheses of alkylsubstituted spirol[4,6]undecanes and dehydrogenation of 1 -ethyl-8,9- benzospiro[4,6]undecane". . p. 768 - 773. Retrieved 2007/10/03.