2,3-Dimethoxy-1,4-benzoquinone

Base Information

• Chemical Name: 2,3-Dimethoxy-1,4-benzoquinone
• CAS No.: 3117-02-0
• Molecular Formula: C8H8O4
• Molecular Weight: 168.149
• Hs Code.: 2914690090
• European Community (EC) Number: 221-489-9
• NSC Number: 56335
• UNII: JLV5JC86MZ
• DSSTox Substance ID: DTXSID70185095
• Nikkaji Number: J80.640D
• Wikidata: Q83056049
• Mol file: 3117-02-0.mol

Synonyms:2,3-Dimethoxy-1,4-benzoquinone;3117-02-0;2,3-dimethoxycyclohexa-2,5-diene-1,4-dione;2,3-Dimethoxy-p-benzoquinone;2,3-dimethoxy-[1,4]benzoquinone;JLV5JC86MZ;2,5-Cyclohexadiene-1,4-dione, 2,3-dimethoxy-;EINECS 221-489-9;NSC-56335;2,3-dimethoxybenzo-1,4-quinone;NSC56335;UNII-JLV5JC86MZ;SCHEMBL49701;DTXSID70185095;MFCD00016366;NSC 56335;AKOS006344439;AC-6519;AS-38794;A5649;CS-0172539;FT-0634676;2,3-DIMETHOXY-2,5-CYCLOHEXADIENE-1,4-DIONE

Chemical Property of 2,3-Dimethoxy-1,4-benzoquinone

Chemical Property:

• Vapor Pressure: 0.000204mmHg at 25°C
• Melting Point: 66-67 °C
• Refractive Index: 1.503
• Boiling Point: 327.3 °C at 760 mmHg
• Flash Point: 147.7 °C
• PSA: 52.60000
• Density: 1.24 g/cm³
• LogP: 0.19880
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 168.04225873
• Heavy Atom Count: 12
• Complexity: 257

Purity/Quality:

98%min ^*data from raw suppliers

2,3-Diimethoxy-1,4-benzoquinone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C(=O)C=CC1=O)OC
• Uses: 2,3-Diimethoxy-1,4-benzoquinone is a root extract from Newbouldia laevis with a potential antimicrobial and antimalarial properties.

Technology Process of 2,3-Dimethoxy-1,4-benzoquinone

There total 21 articles about 2,3-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: 94.0%

2,3,4-trimethoxyphenol (19676-64-3) → 2,3-dimethoxy-1,4-benzoquinone (3117-02-0)

Guidance literature:

With oxygen; copper dichloride; In water; ethyl acetate; at 70 ℃; for 3h;

Reference yield: 86.0%

1,2,3-Trimethoxy-4-methoxymethoxy-benzene (104202-37-1) → 2,3-dimethoxy-1,4-benzoquinone (3117-02-0)

Guidance literature:

With pyridine-2-carboxylic acid, Ag(II) salt; In water; benzene; for 2.5h; Ambient temperature;

Reference yield: 82.0%

1,2,3,4-tetramethoxybenzene (21450-56-6) → 2,3-dimethoxy-1,4-benzoquinone (3117-02-0)

Guidance literature:

With pyridine-2-carboxylic acid, Ag(II) salt; In water; benzene; for 4h; Ambient temperature;

upstream raw materials:

2,3-dimethoxyphenol

2,3-dimethoxybenzene-1,4-diol

1,2,3-trimethoxybenzene

1,2,3,4-tetramethoxybenzene

Downstream raw materials:

2,3-dimethoxy-1,4-naphthoquinone

5-Dodecylsulfanyl-2,3-dimethoxy-[1,4]benzoquinone

5-(p-methoxyphenyl)thio-2,3-dimethoxy-1,4-benzoquinone

lonapalene

Refernces

• 1、 Chen, Wen-Hao,Wang, Rui,Shi, Yan-Ping. "Flavonoids in the poisonous plant oxytropis falcata". . p. 1398 - 1403. Retrieved 2010.
• 2、 Ding, Yuyang,Tang, Fei,Xue, Xiaoqian,Luo, Jinfeng,Hussain, Muzammal,Huang, Yanhui,Wang, Zhen,Jiang, Hao,Tu, Zhengchao,Zhang, Jiancun. "Rational design, synthesis and biological evaluation of ubiquinone derivatives as IDO1 inhibitors". supporting information. . Retrieved 2019/05/21.
• 3、 Si, Tengda,Li, Bowen,Xiong, Wenrui,Xu, Bin,Tang, Wenjun. "Efficient cross-coupling of aryl/alkenyl triflates with acyclic secondary alkylboronic acids". supporting information. p. 9903 - 9909. Retrieved 2017/12/12.