1,4-Dimethoxy-2,3-dimethylbenzene

Base Information

• Chemical Name: 1,4-Dimethoxy-2,3-dimethylbenzene
• CAS No.: 39021-83-5
• Molecular Formula: C10H14O2
• Molecular Weight: 166.22
• Hs Code.: 2909309090
• European Community (EC) Number: 661-598-2
• DSSTox Substance ID: DTXSID80192290
• Nikkaji Number: J628.789A
• Wikidata: Q83064940
• Mol file: 39021-83-5.mol

Synonyms:1,4-Dimethoxy-2,3-dimethylbenzene;39021-83-5;Benzene, 1,4-dimethoxy-2,3-dimethyl-;1,4-DIMETHOXY-2,3-DIMETHYL-BENZENE;SCHEMBL1635785;DTXSID80192290;MFCD00094721;AKOS006271571;AS-61618;CS-0153602;D82370

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

Chemical Property:

• Vapor Pressure: 0.0425mmHg at 25°C
• Melting Point: 78 °C
• Boiling Point: 246.5°C at 760 mmHg
• Flash Point: 92.4°C
• PSA: 18.46000
• Density: 0.977g/cm³
• LogP: 2.32060
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 166.099379685
• Heavy Atom Count: 12
• Complexity: 120

Purity/Quality:

99%min ^*data from raw suppliers

1,4-DIMETHOXY-2,3-DIMETHYLBENZENE Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CC(=C1C)OC)OC

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

There total 11 articles about 1,4-Dimethoxy-2,3-dimethylbenzene 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%

2,3-dimethyl-1,4-dihydroxybenzene (608-43-5) + methyl iodide (74-88-4) → 3,6-dimethoxy-o-xylene (39021-83-5)

Guidance literature:

With potassium hydroxide; In dimethyl sulfoxide;

DOI:10.1246/cl.1993.299

Reference yield: 98.0%

dimethyl sulfate (77-78-1) + 2,3-dimethyl-1,4-dihydroxybenzene (608-43-5) → 3,6-dimethoxy-o-xylene (39021-83-5)

Guidance literature:

With sodium hydroxide; In ethanol; for 3.5h;

DOI:10.1021/ja992164p

Reference yield: 93.0%

carbonic acid dimethyl ester (616-38-6) + 2,3-dimethyl-1,4-dihydroxybenzene (608-43-5) → 3,6-dimethoxy-o-xylene (39021-83-5)

Guidance literature:

With 1,8-diazabicyclo[5.4.0]undec-7-ene; In acetonitrile; at 170 ℃; for 1h; Microwave irradiation; Green chemistry;

DOI:10.1039/c6ra09841j

upstream raw materials:

dimethyl sulfate

2,3-dimethyl-1,4-dihydroxybenzene

methyl iodide

methanol

Downstream raw materials:

1-bromomethyl-2,5-dimethoxy-3,4-dimethylbenzene

1-acetyl-2,5-dimethoxy-3,4-dimethylbenzene

1,4-dihydroxy-2,3-dimethyl-7,8-dihydrobenzocycloheptene-5,9-(6H)-dione

1-(2,4,5-trichloro-3,6-dimethoxybenzyl)-2,5-dimethoxy-3,4-dimethylbenzene

Refernces

• 1、 Heilmann, Michael,Knezevic, Melina,Piccini, Giovanni Maria,Tiefenbacher, Konrad. "Overriding Intrinsic Reactivity in Aliphatic C?H Oxidation: Preferential C3/C4 Oxidation of Aliphatic Ammonium Substrates". supporting information. p. 12387 - 12391. Retrieved 2020/07/04.
• 2、 Aitken, R. Alan,Jethwa, Siddharth J.,Richardson, Neville V.,Slawin, Alexandra M.Z.. "Regioselective bromination of 1,4-dimethoxy-2,3-dimethylbenzene and conversion into sulfur-functionalised benzoquinones". supporting information. p. 1563 - 1566. Retrieved 2018/03/29.