2,6-Dimethoxy-1,4-benzoquinone

Base Information

• Chemical Name: 2,6-Dimethoxy-1,4-benzoquinone
• CAS No.: 530-55-2
• Molecular Formula: C8H8O4
• Molecular Weight: 168.149
• Hs Code.: 29146990
• European Community (EC) Number: 208-484-7
• NSC Number: 56336,24500
• UNII: 1Z701W789S
• DSSTox Substance ID: DTXSID80862128
• Nikkaji Number: J6.704K
• Wikipedia: 2,6-Dimethoxybenzoquinone
• Wikidata: Q4596807
• NCI Thesaurus Code: C126754
• Metabolomics Workbench ID: 43976
• ChEMBL ID: CHEMBL448515
• Mol file: 530-55-2.mol

Synonyms:2,6-dimethoxy-1,4-benzoquinone;2,6-dimethoxy-p-benzoquinone

Chemical Property of 2,6-Dimethoxy-1,4-benzoquinone

Chemical Property:

• Appearance/Colour: yellow powder
• Vapor Pressure: 0.000576mmHg at 25°C
• Melting Point: 253-257 °C (dec.)(lit.)
• Refractive Index: 1.503
• Boiling Point: 311.1 °C at 760 mmHg
• Flash Point: 139.2 °C
• PSA: 52.60000
• Density: 1.24 g/cm³
• LogP: 0.19880
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: DMSO: soluble(lit.)
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 168.04225873
• Heavy Atom Count: 12
• Complexity: 259

Purity/Quality:

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

2,6-Dimethoxy-1,4-benzoquinone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: COC1=CC(=O)C=C(C1=O)OC
• Description: 2,6-DimethoXY-1A-benzoquinone is an allergen in more than 50 different plants and wood species, e.g., mahogany, macore~, sipo, wenge, oak, beech, elms, and poplar. With acamelin, it is one of the allergens of Acacia melanoxylon. Sensitization can occur in woodworkers such as carpenters, joiners and sawyers.
• Uses: 2,6-Dimethoxy-1,4-benzoquinone may be used in the synthesis of 2-aryl-3,5-dimethoxy-1,4-benzoquinone derivatives.

Technology Process of 2,6-Dimethoxy-1,4-benzoquinone

There total 153 articles about 2,6-Dimethoxy-1,4-benzoquinone 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: 100.0%

3,4,5-trimethoxyphenol (642-71-7) → 2,6-dimethoxy-p-quinone (530-55-2,26547-64-8)

Guidance literature:

With bis-[(trifluoroacetoxy)iodo]benzene; In water; acetonitrile; for 0.166667h; Ambient temperature;

DOI:10.1055/s-1989-27170

Reference yield: 99.0%

bis(2,4,6-trimethoxyphenyl)nitrosonium nitrate → 2,6-dimethoxy-p-quinone (530-55-2,26547-64-8)

Guidance literature:

With water; In acetonitrile; for 0.5h;

DOI:10.1002/anie.202105723

Reference yield: 98.0%

1,2,3-trimethoxybenzene (621-23-8) → 2,6-dimethoxy-p-quinone (530-55-2,26547-64-8)

Guidance literature:

With C₃₃H₃₃N₅O₈Ru; dihydrogen peroxide; In ethyl acetate; at 20 ℃; for 12h; chemoselective reaction; Schlenk technique; Green chemistry;

DOI:10.1039/c6ob00969g

upstream raw materials:

Perbenzoic acid

1,2,3-trimethoxybenzene

chloroform

3,5-dimethoxyphenol

Downstream raw materials:

2,6-bis-aziridin-1-yl-hydroquinone

triaziquone

2,6-dimethoxy-3-methyl-1,4-benzoquinone

2,6-dimethoxy-3,5-dimethyl-1,4-benzoquinone

Refernces

• 1、 Anju, Balakrishnan S.,Kundu, Subrata,Mondal, Aditesh,Sahana, Tuhin. "Metal-free Transformations of Nitrogen-Oxyanions to Ammonia via Oxoammonium Salt". . p. 20661 - 20665. Retrieved 2021/08/25.
• 2、 -. "Polycarboxylated compounds and compositions containing same". Page/Page column 17-22. . Retrieved 2021/06/09.