1,4,6,7-Tetramethylnaphthalene

Base Information

• Chemical Name: 1,4,6,7-Tetramethylnaphthalene
• CAS No.: 13764-18-6
• Molecular Formula: C₁₄H₁₆
• Molecular Weight: 184.281
• Hs Code.: 2902909090
• DSSTox Substance ID: DTXSID1074751
• Nikkaji Number: J600.253F
• Wikidata: Q82002967
• Mol file: 13764-18-6.mol

Synonyms:1,4,6,7-Tetramethylnaphthalene;13764-18-6;Naphthalene, 1,4,6,7-tetramethyl-;2-IodohippuricAcid;Naphthalene,1,4,6,7-tetramethyl-;DTXSID1074751;2,3,5,8-Tetramethylnaphthalene;VPSPONOBLZCLIU-UHFFFAOYSA-N;1,4,6,7-Tetramethyl naphthalene;MFCD00049173;AKOS015902147;AS-61577;CS-0334291;FT-0636958;A807289

Chemical Property of 1,4,6,7-Tetramethylnaphthalene

Chemical Property:

• Vapor Pressure: 0.00173mmHg at 25°C
• Melting Point: 63-64°C
• Refractive Index: 1.586
• Boiling Point: 302.9 °C at 760 mmHg
• Flash Point: 140.3 °C
• PSA: 0.00000
• Density: 0.976 g/cm³
• LogP: 4.07340
• Storage Temp.: Room Temperature
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 184.125200510
• Heavy Atom Count: 14
• Complexity: 174

Purity/Quality:

98%min ^*data from raw suppliers

1,4,6,7-Tetramethylnaphthalene ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C2C=C(C(=CC2=C(C=C1)C)C)C
• Uses: 1,4,6,7-Tetramethylnaphthalene is a toxic compound found in cigarette smoke that may be linked to tobacco carcinogenesis. 1,4,6,7-Tetramethylnaphthalene’s potentially toxic effects on glycerophospholipids in liver and brain of male Atlantic cod (Gadus morhua) are currently being studied.

Technology Process of 1,4,6,7-Tetramethylnaphthalene

There total 3 articles about 1,4,6,7-Tetramethylnaphthalene 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:

1,4,6,7-tetramethyl-1,2-dihydro-naphthalene → 1,4,6,7-tetramethylnaphthalene (13764-18-6)

Guidance literature:

With palladium on activated charcoal; at 275 - 290 ℃;

DOI:10.1021/ja01130a032

Reference yield:

1,4,5,8-tetramethylnaphthalene (2717-39-7) → 1,3,5,7-tetramethylnaphthalene (7383-94-0) + 1,4,6,7-tetramethylnaphthalene (13764-18-6) + 1,3,5,8-tetramethylnaphthalene (14558-12-4)

Guidance literature:

With trifluorormethanesulfonic acid; trifluoroacetic acid; In dichloromethane; at 22 ℃; Rate constant; var. of solvent and acid; reaction in presence of var. oxidants;

DOI:10.3891/acta.chem.scand.50-0395

Reference yield:

1,3,5,8-tetramethylnaphthalene (14558-12-4) → 1,3,5,7-tetramethylnaphthalene (7383-94-0) + 1,4,6,7-tetramethylnaphthalene (13764-18-6)

Guidance literature:

With trifluoroacetic acid; at 60 ℃; Product distribution; Thermodynamic data; ΔG(excit);

upstream raw materials:

1,3,5,8-tetramethylnaphthalene

1,4,5,8-tetramethylnaphthalene

Refernces

• 1、 Rodionov, V. I.,Shakirov, M. M.,Isaev, I. S.,Koptyug, V. A.. "QUNTITATIVE DESCRIPTION OF THE ISOMERIC TRANSFORMATIONS OF SUBSTITUTED AROMATIC COMPOUNDS UNDER THE INFLUENCE OF ACID CATALYSTS VI. ISOMERIZATION OF PERI-SUBSTITUTED POLYMETHYLNAPHTHALENES". . p. 1303 - 1310. Retrieved 2007/10/02.