2,3,6-Trimethylnaphthalene

Base Information

• Chemical Name: 2,3,6-Trimethylnaphthalene
• CAS No.: 829-26-5
• Molecular Formula: C13H14
• Molecular Weight: 170.254
• Hs Code.: 2902909090
• European Community (EC) Number: 212-588-8
• NSC Number: 11848
• UNII: 0WHV15633Q
• DSSTox Substance ID: DTXSID8061189
• Nikkaji Number: J102.298I
• Wikidata: Q27231188
• Mol file: 829-26-5.mol

Synonyms:2,3,6-TRIMETHYLNAPHTHALENE;829-26-5;Naphthalene, 2,3,6-trimethyl-;UNII-0WHV15633Q;0WHV15633Q;EINECS 212-588-8;NSC 11848;NSC-11848;AI3-17611;NSC11848;2,6-Trimethylnaphthalene;Maybridge1_004328;2,3,6-Trimethylnaphthalin;Naphthalene,3,6-trimethyl-;DTXSID8061189;HMS553M18;JFD 03643;AKOS006271741;Q27231188

Chemical Property of 2,3,6-Trimethylnaphthalene

Chemical Property:

• Vapor Pressure: 0.0167mmHg at 25°C
• Boiling Point: 263.5°C at 760 mmHg
• Flash Point: 129.6°C
• PSA: 0.00000
• Density: 0.987g/cm³
• LogP: 3.76500
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 170.109550447
• Heavy Atom Count: 13
• Complexity: 173

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2,3,6-Trimethylnaphthalene

There total 9 articles about 2,3,6-Trimethylnaphthalene 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:

polystyrene → acridine (260-94-6) + 2,3,6-trimethylnaphthalene (829-26-5) + 1,2,3,4,5,6,7,8-Octahydrophenanthrene (5325-97-3) + 4a-methyl-4,4a,9,10-tetrahydro-3H-phenanthren-2-one (6606-34-4)

Guidance literature:

With air; at 900 ℃; Further byproducts given. Title compound not separated from byproducts; Formation of xenobiotics;

DOI:10.1021/es9709031

Reference yield:

C13H20 → 2,3,6-trimethylnaphthalene (829-26-5)

Guidance literature:

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

DOI:10.1021/ja502659t

Reference yield:

2,3,6-trimethyl-1,4,4a,5,8,8a-hexahydronaphthalene-4a,8a-diol → 2,3,6-trimethylnaphthalene (829-26-5)

Guidance literature:

Multi-step reaction with 2 steps

1: tetrabutylammonium dioxovanadium(V)-dipicolinate; sodium sulfite / benzene / 96 h / 180 °C / Sealed tube

2: pyrographite / benzene / 12 h / 80 °C / 760.05 Torr / Sealed tube

With tetrabutylammonium dioxovanadium(V)-dipicolinate; pyrographite; sodium sulfite; In benzene;

DOI:10.1021/ja502659t

upstream raw materials:

(1RS,2SR)-4,5-dimethylcyclohex-4-ene-1,2-diol

2,3-dimethyl-buta-1,3-diene

(3aRS,7aSR)-5,6-dimethyl-3a,4,7,7a-tetrahydrobenzo[d][1,3]dioxol-2-one

Downstream raw materials:

TMN

trans-2,3,4-Tristyryl-naphthalin

trans-2,3,6-Tris-(3,4-dimethoxy-styryl)-naphthalin

Refernces

• 1、 Durlak, Susan K.,Biswas, Pratim,Shi, Jichun,Bernhard, Mary Jo. "Characterization of polycyclic aromatic hydrocarbon particulate and gaseous emissions from polystyrene combustion". . p. 2301 - 2307. Retrieved 2007/10/03.