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:

98%,99%, ^*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
• Uses: 1,2-Dimethylnaphthalene is suitable reagent used to investigate the secondary organic aerosol (SOA) production via gas-phase photooxidation.

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

Refernces

• 1、 Pinhey,Simpson. "". . p. 9. Retrieved 1967.
• 2、 Plattner,Ronco. "-". . p. 400,402. Retrieved 1944.
• 3、 Zhu, Dan,Shi, Lei. "Ni-Catalyzed cross-coupling of aryl thioethers with alkyl Grignard reagents via C-S bond cleavage". supporting information. p. 9313 - 9316. Retrieved 2018/08/29.
• 4、 Yamamoto, Yasunori,Ikizakura, Kazuya,Ito, Hajime,Miyaura, Norio. "Cross-coupling reaction with lithium methyltriolborate". . p. 430 - 439. Retrieved 2013/03/13.