2,6-Dimethoxytoluene

Base Information

• Chemical Name: 2,6-Dimethoxytoluene
• CAS No.: 5673-07-4
• Molecular Formula: C9H12O2
• Molecular Weight: 152.193
• Hs Code.: 2909309090
• European Community (EC) Number: 227-131-8
• NSC Number: 62674
• UNII: 3P2C6I4244
• DSSTox Substance ID: DTXSID4022230
• Nikkaji Number: J225.086A
• Wikidata: Q27257835
• Mol file: 5673-07-4.mol

Synonyms:2,6-Dimethoxytoluene;5673-07-4;1,3-Dimethoxy-2-methylbenzene;Benzene, 1,3-dimethoxy-2-methyl-;MFCD00008374;EINECS 227-131-8;2-methyl-1,3-bis(methyloxy)benzene;NSC 62674;NSC-62674;3P2C6I4244;NSC62674;2,6-Dimethoxytoluene, 98%;SCHEMBL146841;DTXSID4022230;UNII-3P2C6I4244;1,3-dimethoxy-2-methyl-benzene;1,3-Dimethoxy-2-methylbenzene #;2-Methylresorcinol, dimethyl ether;TOLUENE, 2,6-DIMETHOXY-;AC8327;STL280190;AKOS015890103;2-METHYL-1,3-DIMETHOXYBENZENE;2-METHYLRESORCINOL DIMETHYL ETHER;AC-25935;AS-14440;SY049238;LS-184949;CS-0153507;D2246;FT-0613081;A19668;EN300-180986;Q27257835

Chemical Property of 2,6-Dimethoxytoluene

Chemical Property:

• Appearance/Colour: light yellow to brownish crystalline solid
• Vapor Pressure: 0.274mmHg at 25°C
• Melting Point: 39-41 °C(lit.)
• Refractive Index: 1.489
• Boiling Point: 210.8 °C at 760 mmHg
• Flash Point: 96.7 °C
• PSA: 18.46000
• Density: 0.99 g/cm³
• LogP: 2.01220
• Water Solubility.: Insoluble in water.
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 152.083729621
• Heavy Atom Count: 11
• Complexity: 102

Purity/Quality:

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

2,6-Dimethoxytoluene ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CC=C1OC)OC
• Uses: 2,6-Dimethoxytoluene is used as an organic chemical synthesis intermediate.

Technology Process of 2,6-Dimethoxytoluene

There total 21 articles about 2,6-Dimethoxytoluene 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%

2,6-dimethoxybenzaldehyde (3392-97-0) → 2,6-dimethoxytoluene (5673-07-4)

Guidance literature:

With hydrogen; palladium on activated charcoal; In methanol; for 18h; under 760 Torr;

DOI:10.1016/j.tetlet.2005.05.132

Reference yield: 100.0%

2-methylbenzene-1,3-diol (608-25-3) + methyl iodide (74-88-4) → 2,6-dimethoxytoluene (5673-07-4)

Guidance literature:

With sodium hydride; In N,N-dimethyl-formamide;

Reference yield: 92.0%

trifluoromethanesulfonic acid 2,6-dimethoxyphenyl ester (60319-07-5) + tetramethylstannane (594-27-4) → 2,6-dimethoxytoluene (5673-07-4)

Guidance literature:

bis-triphenylphosphine-palladium(II) chloride; triphenylphosphine; lithium chloride;

DOI:10.1016/0040-4039(90)80227-D

upstream raw materials:

3-methoxy-2-methylphenol

2-methylbenzene-1,3-diol

dimethyl sulfate

1,3-Dimethoxybenzene

Downstream raw materials:

2,4-dimethoxy-3-methylbenzaldehyde

1-(2,4-dimethoxy-3-methylphenyl)-2-methylbut-2-en-1-one

1-Benzyl-5-chloro-4-(2-hydroxy-4-methoxy-3-methylbenzoyl)-1H-1,2,3-triazole

1-Benzyl-5-chloro-4-(2,4-dimethoxy-3-methylphenylthio)-1H-1,2,3-triazole

Refernces

• 1、 Cook, Adam,Prakash, Sekar,Zheng, Yan-Long,Newman, Stephen G.. "Exhaustive Reduction of Esters Enabled by Nickel Catalysis". supporting information. p. 8109 - 8115. Retrieved 2020/05/20.
• 2、 Boyer, Fran?ois-Didier,Ducrot, Paul-Henri. "Hydrogenation of substituted aromatic aldehydes: Nucleophilic trapping of the reaction intermediate, application to the efficient synthesis of methylene linked flavanol dimers". . p. 5177 - 5180. Retrieved 2007/10/03.