1,2-Dimethylnaphthalene

Base Information

• Chemical Name: 1,2-Dimethylnaphthalene
• CAS No.: 573-98-8
• Deprecated CAS: 1335-93-9,27457-31-4,65338-04-7,65338-08-1
• Molecular Formula: C12H12
• Molecular Weight: 156.227
• European Community (EC) Number: 209-364-7
• NSC Number: 59832
• UNII: 23T7O135BD
• DSSTox Substance ID: DTXSID1058717
• Nikkaji Number: J45.110J
• Wikidata: Q27115775
• Metabolomics Workbench ID: 54913
• ChEMBL ID: CHEMBL382541
• Mol file: 573-98-8.mol

Synonyms:1,2-dimethylnaphthalene

Chemical Property of 1,2-Dimethylnaphthalene

Chemical Property:

• Melting Point: −2-−1 °C(lit.)
• Refractive Index: n20/D 1.615(lit.)
• Boiling Point: 266-267 °C(lit.)
• Flash Point: 114°C
• PSA: 0.00000
• Density: 1g/cm³
• LogP: 3.45660
• Water Solubility.: Difficult to mix in water.
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 156.093900383
• Heavy Atom Count: 12
• Complexity: 150

Purity/Quality:

97% ^*data from raw suppliers

1,2-Dimethylnaphthalene ^*data from reagent suppliers

Safty Information:

• Safety Statements: 23-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Naphthalenes
• Canonical SMILES: CC1=C(C2=CC=CC=C2C=C1)C
• General Description: 1,2-Dimethylnaphthalene is a polycyclic aromatic hydrocarbon (PAH) derivative featuring two methyl groups attached to the naphthalene ring at the 1 and 2 positions. It is a structural isomer of other dimethylnaphthalenes and is primarily studied in the context of organic chemistry, environmental science, and material science due to its presence in fossil fuels and potential applications in industrial processes. 1,2-DIMETHYLNAPHTHALENE's properties, such as its stability and reactivity, are influenced by the positioning of the methyl groups on the aromatic ring. While specific details on its biological or toxicological effects are not highlighted in the provided abstract, it is recognized by its alternative identifier, NSC 59832, in chemical databases.

Technology Process of 1,2-Dimethylnaphthalene

There total 66 articles about 1,2-Dimethylnaphthalene 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: 100.0%

3a,9b-dimethyl-3a,4,5,9b-tetrahydronaphtho[1,2-d][1,3]dioxol-2-one → dimethyl-1,2 naphtalene (573-98-8)

Guidance literature:

With sulfuric acid; In water;

DOI:10.1007/s11172-006-0225-z

Reference yield: 88.0%

1-bromo-2-methylnaphtalene (2586-62-1) + lithium methyltriolborate → dimethyl-1,2 naphtalene (573-98-8)

Guidance literature:

With palladium diacetate; ruphos; In methanol; water; at 80 ℃; for 12h; Inert atmosphere;

DOI:10.3390/molecules18010430

Reference yield: 87.0%

dihydroxy-methyl-borane (13061-96-6) + 1-nitro-2-methylnaphthalene (881-03-8) → dimethyl-1,2 naphtalene (573-98-8)

Guidance literature:

With potassium phosphate tribasic trihydrate; Tris(3,6-dioxaheptyl)amine; 2-(2,6-dimethylphenyl)-5-(2,4,6-triisopropylphenyl)imidazo[1,5-a]pyridin-2-ium chloride; palladium(II) acetylacetonate; In 1,4-dioxane; at 20 - 130 ℃; for 48.5h; Sealed tube; Inert atmosphere;

DOI:10.1039/c9cc04634h

upstream raw materials:

1-chloromethyl-2-methyl-naphthalene

3,4-dimethyl-1,2-dihydronaphthalene

2-methyl-1-naphthaldehyde

1,1-dimethyltetralin

Downstream raw materials:

1-bromomethyl-2-methylnaphthalene

1-Methyl-2-naphthaldehyde

2-methyl-1-naphthaldehyde

Acetic acid 2-methyl-naphthalen-1-ylmethyl ester