2,3-DIMETHYLNAPHTHALENE

Base Information

• Chemical Name: 2,3-DIMETHYLNAPHTHALENE
• CAS No.: 581-40-8
• Molecular Formula: C12H12
• Molecular Weight: 156.227
• Hs Code.: 2902909090
• European Community (EC) Number: 209-463-5
• NSC Number: 36850
• UNII: 35DJ6SE17O
• DSSTox Substance ID: DTXSID2060383
• Nikkaji Number: J45.112F
• Wikidata: Q27121291
• Metabolomics Workbench ID: 57066
• ChEMBL ID: CHEMBL1797262
• Mol file: 581-40-8.mol

Synonyms:2,3-Dimethylnaphthalene;Guajen; NSC 36850

Chemical Property of 2,3-DIMETHYLNAPHTHALENE

Chemical Property:

• Appearance/Colour: white flakes
• Vapor Pressure: 0.0124mmHg at 25°C
• Melting Point: 103-104 °C(lit.)
• Refractive Index: 1.5060
• Boiling Point: 269 °C(lit.)
• Flash Point: 114°C
• PSA: 0.00000
• Density: 1g/cm³
• LogP: 3.45660
• Water Solubility.: Solubility in toluene (almost transparency). Insoluble in water.
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 156.093900383
• Heavy Atom Count: 12
• Complexity: 132

Purity/Quality:

99% ^*data from raw suppliers

2,3-Dimethylnaphthalene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22
• Safety Statements: 23-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Naphthalenes
• Canonical SMILES: CC1=CC2=CC=CC=C2C=C1C
• Uses: It is used in the identification of individual aromatic hydrocarbons in kerosene fraction (b.p. 150-250°).

Technology Process of 2,3-DIMETHYLNAPHTHALENE

There total 51 articles about 2,3-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: 98.0%

C12H18 (20241-29-6) → 2,3-dimethylnaphthalene (581-40-8)

Guidance literature:

With pyrographite; In benzene; at 80 ℃; for 12h; under 760.051 Torr; Sealed tube;

DOI:10.1021/ja502659t

Reference yield: 73.0%

C12H14O (1009632-00-1) + 2-phenylallyltrimethylsilane (77130-15-5) → C21H22 (1009632-20-5) + 2,3-dimethylnaphthalene (581-40-8)

Guidance literature:

silver hexafluoroantimonate; (triphenylphosphine)gold(I) chloride; In dichloromethane; at 20 ℃; for 3h;

DOI:10.1021/ol7030334

Reference yield: 22.0%

1,2-dichloro-3,3-difluorocyclopropene (6262-45-9) + 2,3-bis(methylene)-1,2,3,4-tetrahydronaphthalene (65957-27-9) → 2,3-dimethylnaphthalene (581-40-8) + 1a,9a-dichloro-1,1-difluoro-1a,2,3,8,9,9a-hexahydro-1H-cyclopropanthracene (78239-40-4)

Guidance literature:

With sodium hydrogencarbonate; In tetrachloromethane; dichloromethane; at 45 ℃; for 144h;

DOI:10.1002/hlca.19820650405

upstream raw materials:

6,7-dimethyltetralin

2,3-dimethyl-1,2-dihydronaphthalene

2,3-Dimethylnaphthalin-1-sulfonsaeure

1,2-dichloro-3,3-difluorocyclopropene

Downstream raw materials:

Glyoxal

dimethylglyoxal

2-oxopropanal

(2,3-dimethylnaphthalen-1-yl)(phenyl)methanone

Refernces

• 1、 Braterman et al.. "-". . p. 651. Retrieved 1977.
• 2、 Güle?, Fatih,Niftaliyeva, Aysel,Karaduman, Ali. "Selective synthesis of 2,6-triad dimethylnaphthalene isomers by disproportionation of 2-methylnaphthalene over mesoporous MCM-41". . p. 7205 - 7218. Retrieved 2018/08/22.
• 3、 Wu, Wei,Wu, Weiguo,Kikhtyanin,Li, Lingfei,Toktarev,Ayupov,Khabibulin,Echevsky,Huang, Juan. "Methylation of naphthalene on MTW-type zeolites. Influence of template origin and substitution of Al by Ga". experimental part. p. 279 - 288. Retrieved 2010/11/18.