2,5-Dimethoxy-1,4-benzoquinone

Base Information

• Chemical Name: 2,5-Dimethoxy-1,4-benzoquinone
• CAS No.: 3117-03-1
• Molecular Formula: C8H8 O4
• Molecular Weight: 168.149
• Hs Code.: 2914690090
• NSC Number: 509720
• UNII: XJL7OE03FS
• DSSTox Substance ID: DTXSID30185096
• Nikkaji Number: J80.641B
• Wikidata: Q27293870
• Metabolomics Workbench ID: 46491
• ChEMBL ID: CHEMBL465063
• Mol file: 3117-03-1.mol

Synonyms:2,5-dimethoxy-1,4-benzoquinone;2,5-dimethoxy-4-benzoquinone

Chemical Property of 2,5-Dimethoxy-1,4-benzoquinone

Chemical Property:

• Vapor Pressure: 0.000576mmHg at 25°C
• Melting Point: >200 °C (decomp)
• 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.: -20°C Freezer
• Solubility.: Chloroform (Slightly, Heated), Methanol (Slightly, Heated)
• 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: 255

Purity/Quality:

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

2,5-Dimethoxy-1,4-benzoquinone ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=O)C(=CC1=O)OC

Technology Process of 2,5-Dimethoxy-1,4-benzoquinone

There total 56 articles about 2,5-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: 96.0%

methanol (67-56-1) + 4,5-dimethoxy-1,2-benzoquinone (21086-65-7) → 2,5-dimethoxyquinone (3117-03-1)

Guidance literature:

With sulfuric acid; at 20 ℃; for 4h;

DOI:10.1016/j.molstruc.2019.07.041

Reference yield: 96.0%

4,5-dimethoxy-1,2-benzoquinone (21086-65-7) → 2,5-dimethoxyquinone (3117-03-1)

Guidance literature:

With sulfuric acid; In methanol;

DOI:10.1021/ja011413i

Reference yield: 96.0%

methanol (67-56-1) + p-benzoquinone (106-51-4) → 2,5-dimethoxyquinone (3117-03-1)

Guidance literature:

With oxygen; cobalt(II) acetate; at 60 ℃; for 96h; Reagent/catalyst; Darkness;

DOI:10.1002/anie.201805580

upstream raw materials:

diazomethane

2,5-dihydroxy-1,4-benzoquinone

methanol

2,5-diethoxy-[1,4]benzoquinone

Downstream raw materials:

1,2,4,5-tetramethoxybenzene

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

2,5-dihydroxy-1,4-benzoquinone

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

Refernces

• 1、 Chen, Wenhua,Chen, Xiaole,Gao, Min,Hong, Weiqian David,Jian, Rongchao,Li, Yuling,Sheng, Zhaojun,Tang, Xiaowen,Wu, Panpan,Zhang, Kun,Zhao, Denggao,Zheng, Xi. "Design, synthesis and α-glucosidase inhibition study of novel embelin derivatives". . p. 565 - 573. Retrieved 2020/02/15.
• 2、 Llopis, Natalia,Baeza, Alejandro. "Oxidation of Electron-Rich Arenes Using HFIP-UHP System". . p. 6159 - 6164. Retrieved 2020/05/20.