2,7-Dimethylnaphthalene

Base Information

• Chemical Name: 2,7-Dimethylnaphthalene
• CAS No.: 582-16-1
• Molecular Formula: C12H12
• Molecular Weight: 156.227
• Hs Code.: 2902909090
• European Community (EC) Number: 209-477-1
• NSC Number: 36851
• UNII: ON63XH5BQ4
• DSSTox Substance ID: DTXSID7060386
• Nikkaji Number: J116.789H
• Wikidata: Q27121295
• Metabolomics Workbench ID: 57070
• ChEMBL ID: CHEMBL195036
• Mol file: 582-16-1.mol

Synonyms:2,7-DIMETHYLNAPHTHALENE;582-16-1;Naphthalene, 2,7-dimethyl-;2,7-dimethyl-naphthalene;2,7-DMN;MFCD00004121;UNII-ON63XH5BQ4;ON63XH5BQ4;CHEMBL195036;CHEBI:48632;EINECS 209-477-1;NSC 36851;NSC-36851;AI3-17610;NSC36851;2,7-Dimethylnaphthalene, 99%;DTXSID7060386;BDBM50159240;AKOS006221862;SB37788;DS-11890;SY049119;CS-0038993;D0752;FT-0632434;A831788;Q27121295

Chemical Property of 2,7-Dimethylnaphthalene

Chemical Property:

• Appearance/Colour: white to beige powder or flakes
• Vapor Pressure: 0.0159mmHg at 25°C
• Melting Point: 94-97 °C(lit.)
• Refractive Index: 1.5956 (estimate)
• Boiling Point: 263 °C(lit.)
• Flash Point: 110.5°C
• PSA: 0.00000
• Density: 1g/cm³
• LogP: 3.45660
• Storage Temp.: Sealed in dry,Room Temperature
• 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: 134

Purity/Quality:

98%,99%, ^*data from raw suppliers

2,7-Dimethylnaphthalene ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=C(C=C1)C=CC(=C2)C
• Uses: 2,7-Dimethylnaphthalene was used in the preparation of 2,7-bisbromomethylnapthalene via bromination with N-bromosuccinimide.

Technology Process of 2,7-Dimethylnaphthalene

There total 68 articles about 2,7-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: 81.0%

2,7-dibromonaphthalene (58556-75-5) + dimethyl zinc(II) (544-97-8) → 2,7-dimethylnaphthalene (582-16-1)

Guidance literature:

With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; In 1,4-dioxane; at 20 - 100 ℃; for 16h;

Reference yield: 55.6%

2,7-dibromonaphthalene (58556-75-5) → 2,7-dimethylnaphthalene (582-16-1)

Guidance literature:

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

Reference yield:

methanol (67-56-1) + naphthalene (91-20-3,71998-51-1,72931-45-4) → 2,3-dimethylnaphthalene (581-40-8) + 2,7-dimethylnaphthalene (582-16-1) + 1,6-dimethylnaphthalene (575-43-9) + 2.6-dimethylnaphthalene (581-42-0) + 1,7-dimethylnaphthalene (575-37-1) + 1,4-dimethylnaphthalene (571-58-4)

Guidance literature:

With ZSM-5 nanocrystals; at 400 ℃; for 4h; under 22502.3 Torr; Reagent/catalyst; Inert atmosphere;

DOI:10.1134/S0965544121030087

upstream raw materials:

2,7-dimethyl-1,2,3,4-tetrahydronaphthalene

3,7-dimethyl-naphthalene-2-sulfonic acid

sumaresinolic acid

2-(1-Methyl-2-m-tolyl-ethylidene)-malononitrile

Downstream raw materials:

4-methylphthalic acid

maleic anhydride

2-(2,7-dimethyl-[1]naphthoyl)-benzoic acid

2,7-bis(bromomethyl)naphthalene

Refernces

• 1、 Wang, Yongchao,Kikhtyanin,Li, Cheng,Su, Xiaofang,Bai, Xuefeng,Wu, Wei. "Synthesis of Nanosized ZSM-5 Zeolites by Different Methods and Their Catalytic Performance in the Alkylation of Naphthalene". . p. 394 - 406. Retrieved 2021/02/26.
• 2、 -. "PYRIDAZINONE HERBICIDES AND PYRIDAZINONE INTERMEDIATES USED TO PREPARE A HERBICIDE". Page/Page column 44-45. . Retrieved 2020/05/13.