2-Methoxy-3-methyl-[1,4]benzoquinone

Base Information

• Chemical Name: 2-Methoxy-3-methyl-[1,4]benzoquinone
• CAS No.: 2207-57-0
• Molecular Formula: C8H8 O3
• Molecular Weight: 152.15
• Hs Code.: 2914690090
• DSSTox Substance ID: DTXSID60448702
• Nikkaji Number: J842.088B
• Wikidata: Q82267812
• Mol file: 2207-57-0.mol

Synonyms:2-methoxy-3-methyl-1,4-benzoquinone

Chemical Property of 2-Methoxy-3-methyl-[1,4]benzoquinone

Chemical Property:

• PSA: 43.37000
• LogP: 0.61480
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 152.047344113
• Heavy Atom Count: 11
• Complexity: 271

Purity/Quality:

99%, ^*data from raw suppliers

2-METHOXY-3-METHYL-(1,4)BENZOQUINONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Methoxy-3-methyl-[1,4]benzoquinone

There total 27 articles about 2-Methoxy-3-methyl-[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%

2-methoxy-3-methylbenzene-1,4-diol (1760-80-1) → 2-methoxy-3-methyl-1,4-benzoquinone (2207-57-0)

Guidance literature:

With iron(III) chloride; In methanol; for 0.25h; Ambient temperature;

DOI:10.1021/jo00326a029

Reference yield: 99.0%

2,4-dimethoxy-3-methylphenol (19676-67-6) → 2-methoxy-3-methyl-1,4-benzoquinone (2207-57-0)

Guidance literature:

With nitric acid; acetic acid; In water; at 0 - 20 ℃;

DOI:10.1021/jo0522512

Reference yield: 94.3%

2,6-dimethoxytoluene (5673-07-4) → 2-methoxy-3-methyl-1,4-benzoquinone (2207-57-0)

Guidance literature:

With dihydrogen peroxide; nitric acid; acetic acid; In water; at 75 - 80 ℃; for 0.916667h;

DOI:10.1021/jo0522512

upstream raw materials:

2-methoxy-3-methylbenzene-1,4-diol

2-methoxy-3-methylaniline

3-methoxy-2-methylphenol

2,4-dimethoxy-3-methylphenol

Downstream raw materials:

2,5-dihydroxy-4-methoxy-3-methyl-benzaldehyde

1-bromo-2,5-bis-(tert-butyl-dimethyl-silanyloxy)-4-methoxy-3-methyl-benzene

[2,5-bis-(tert-butyl-dimethyl-silanyloxy)-4-methoxy-3-methyl-phenyl]-acetic acid

[2,5-bis-(tert-butyl-dimethyl-silanyloxy)-4-methoxy-3-methyl-phenyl]-acetic acid ethyl ester

Refernces

• 1、 Engler, Thomas A.,Iyengar, Rajesh. "Lewis Acid-Directed Reactions of Quinones with Styrenyl Systems: The Case of 2-Methoxy-3-methyl-1,4-benzoquinone". . p. 1929 - 1934. Retrieved 1998.
• 2、 Herter, Susanne,Michalik, Dirk,Mikolasch, Annett,Schmidt, Marlen,Wohlgemuth, Roland,Bornscheuer, Uwe,Schauer, Frieder. "Laccase-mediated synthesis of 2-methoxy-3-methyl-5-(alkylamino)- and 3-methyl-2,5-bis(alkylamino)-[1,4]-benzoquinones". . p. 91 - 97. Retrieved 2013/05/21.