2,6-Dimethylnaphthalene

Base Information

• Chemical Name: 2,6-Dimethylnaphthalene
• CAS No.: 581-42-0
• Molecular Formula: C12H12
• Molecular Weight: 156.227
• Hs Code.: 2902909090
• European Community (EC) Number: 209-464-0
• NSC Number: 36852
• UNII: 76U29QW3FM
• DSSTox Substance ID: DTXSID0029187
• Nikkaji Number: J45.113D
• Wikipedia: 2,6-Dimethylnaphthalene
• Wikidata: Q2250787
• Metabolomics Workbench ID: 54953
• ChEMBL ID: CHEMBL194983
• Mol file: 581-42-0.mol

Synonyms:2,6-dimethylnaphthalene;2,6-dimethylnaphthalene ion (1-);2,6-dimethylnaphthalene picrate

Chemical Property of 2,6-Dimethylnaphthalene

Chemical Property:

• Melting Point: 106-110 °C(lit.)
• Refractive Index: n20/D 1.6088(lit.)
• Boiling Point: 264.4 °C at 760 mmHg
• Flash Point: 110.5 °C
• PSA: 0.00000
• Density: 1g/cm³
• LogP: 3.45660
• 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: 132

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Naphthalenes
• Canonical SMILES: CC1=CC2=C(C=C1)C=C(C=C2)C

Technology Process of 2,6-Dimethylnaphthalene

There total 89 articles about 2,6-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:

C15H15N3O2 → 2.6-dimethylnaphthalene (581-42-0) + 4-methyl-1,2,4-triazoline-3,5-dione (13274-43-6)

Guidance literature:

With 2,3-Dimethyl-2-butene; 1,1-dichloroethane; In chloroform-d1; at 29 ℃; Kinetics;

DOI:10.1021/jo9906429

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

Reference yield:

dimethyl-1,2 naphtalene (573-98-8) + 1,8-dimethylnaphthalene (569-41-5) → naphthalene (91-20-3,71998-51-1,72931-45-4) + 2,3-dimethylnaphthalene (581-40-8) + 2,7-dimethylnaphthalene (582-16-1) + 1-ethylnapthelene (1127-76-0) + 1,6-dimethylnaphthalene (575-43-9) + 2.6-dimethylnaphthalene (581-42-0) + 2-ethylnaphthalene (939-27-5) + 1,7-dimethylnaphthalene (575-37-1) + 1,3-dimethylnaphthalene (575-41-7) + 1,4-dimethylnaphthalene (571-58-4) + 1,5-dimethylnaphthalene (571-61-9) + 1-Methylnaphthalene (90-12-0,34475-76-8) + 2-Methylnaphthalene (91-57-6,34468-07-0)

Guidance literature:

With hydrogen; chromium corundum; at 20 - 500.6 ℃; under 59631 Torr; Purification / work up;

upstream raw materials:

acetylacetaldehyde dimethyl acetal

4-tolylmagnesium chloride

1,6-dimethylnaphthalene

2-iodo-6-methylnaphthalene

Downstream raw materials:

2-(2,6-dimethyl-[1]naphthoyl)-benzoic acid

2-(3,7-dimethyl-1-naphthoyl)benzoic acid

2,6-dimethyltetralin

decahydro-2,6-dimethylnaphthalene

Refernces

• 1、 Xiaoxiao Wang,Guo, Fang,Wei, Xianxian,Liu, Zhenmin,Wang, Yingchun,Guo, Shaoqing,Wang, Yuanyang,Yu, Yue. "RETRACTED ARTICLE: Study on Methylation of Naphthalene with Methanol over ZSM-5 (core)/SAPO-11(shell) Composite Molecular Sieve". . p. 431 - 436. Retrieved 2019.
• 2、 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.
• 3、 -. "Preparation method of 2, 6-dimethylnaphthalene". Paragraph 0038; 0042-0061. . Retrieved 2021/09/21.