1,4-Naphthalenedione, 2,3,6-trimethyl-

Base Information

• Chemical Name: 1,4-Naphthalenedione, 2,3,6-trimethyl-
• CAS No.: 20490-42-0
• Molecular Formula: C13H12 O2
• Molecular Weight: 200.237
• Hs Code.: 2914690090
• European Community (EC) Number: 837-827-9
• UNII: 3F9265K5XQ
• DSSTox Substance ID: DTXSID90174466
• Nikkaji Number: J529.896B
• Wikidata: Q27257154
• ChEMBL ID: CHEMBL1928855
• Mol file: 20490-42-0.mol

Synonyms:2,3,6-trimethyl-1,4-naphthoquinone;TM-NQ cpd

Chemical Property of 1,4-Naphthalenedione, 2,3,6-trimethyl-

Chemical Property:

• Vapor Pressure: 3.64E-05mmHg at 25°C
• Boiling Point: 353.2°Cat760mmHg
• Flash Point: 132.5°C
• PSA: 34.14000
• Density: 1.145g/cm³
• LogP: 2.71040
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 200.083729621
• Heavy Atom Count: 15
• Complexity: 352

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=C(C=C1)C(=O)C(=C(C2=O)C)C

Technology Process of 1,4-Naphthalenedione, 2,3,6-trimethyl-

There total 7 articles about 1,4-Naphthalenedione, 2,3,6-trimethyl- 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:

2,3,6-trimethyl-4a,5,8,8a-tetrahydro-1,4-naphthoquinone (59832-86-9) → TMN (20490-42-0)

Guidance literature:

With manganese(IV) oxide; In Petroleum ether; at 60 - 70 ℃; for 7h;

DOI:10.1039/a900190e

Reference yield:

2,3-dimethyl-1,4-benzoquinone (526-86-3) → TMN (20490-42-0)

Guidance literature:

Multi-step reaction with 2 steps

1: ethanol / 3 h / 80 °C

2: 0.75 g / 10 percent Pd/C / xylene / 7 h / Heating

palladium on activated charcoal; In ethanol; xylene; 1: Diels-Alder reaction;

DOI:10.1021/tx990146f

Reference yield:

diazomethane (186581-53-3,908094-01-9,334-88-3) + 2,6-dimethyl-1,4-naphthoquinone (6290-94-4) → TMN (20490-42-0)

Guidance literature:

With diethyl ether; at 0 ℃; Destillieren der in Aether loeslichen Anteile des Reaktionsprodukts bei 140grad/1 Torr;

DOI:10.1021/jo01219a005

upstream raw materials:

diazomethane

2,6-dimethyl-1,4-naphthoquinone

2,3,6-trimethyl-4a,5,8,8a-tetrahydro-1,4-naphthoquinone

2,3,6-trimethylnaphthalene

Downstream raw materials:

1,2,4-benzene tricarboxylic acid