3,4-Dimethylanisole

Base Information

• Chemical Name: 3,4-Dimethylanisole
• CAS No.: 4685-47-6
• Molecular Formula: C9H12O
• Molecular Weight: 136.194
• Hs Code.: 29093090
• European Community (EC) Number: 225-142-2
• DSSTox Substance ID: DTXSID70196964
• Nikkaji Number: J149.890H
• Wikidata: Q83069934
• Mol file: 4685-47-6.mol

Synonyms:3,4-Dimethylanisole;4685-47-6;4-Methoxy-1,2-dimethylbenzene;Benzene, 4-methoxy-1,2-dimethyl-;3,4-Dimethyl anisole;EINECS 225-142-2;MFCD00008396;AI3-21149;4-Methoxy-1,2-dimethyl-benzene;4-Methoxy-o-xylene;1,2-DIMETHYL-4-METHOXYBENZENE;3,4-dimethyl-anisole;SCHEMBL83318;3,4-Dimethylanisole, 99%;SCHEMBL13322155;LVUBSVWMOWKPDJ-UHFFFAOYSA-;DTXSID70196964;4-Methoxy-1,2-dimethylbenzene #;AKOS015916304;AMY202100087;AS-57156;SY027665;CS-0153001;FT-0614366;A827107

Chemical Property of 3,4-Dimethylanisole

Chemical Property:

• Appearance/Colour: clear colourless liquid
• Vapor Pressure: 0.402mmHg at 25°C
• Refractive Index: n20/D 1.517(lit.)
• Boiling Point: 203.1 °C at 760 mmHg
• Flash Point: 75.6 °C
• PSA: 9.23000
• Density: 0.974 g/mL at 25 °C(lit.)
• LogP: 2.31200
• Storage Temp.: Store below +30°C.
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 136.088815002
• Heavy Atom Count: 10
• Complexity: 101

Purity/Quality:

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

3,4-Dimethylanisole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 36/37/38-41-37/38-22
• Safety Statements: 24/25-39-26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=C(C=C(C=C1)OC)C
• Uses: 3,4-Dimethylanisole was used as starting reagent in the synthesis of 3- and 4-methoxy-N-hydroxyphthalimide.

Technology Process of 3,4-Dimethylanisole

There total 10 articles about 3,4-Dimethylanisole 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: 99.0%

3,4-Dimethylphenol (95-65-8) + carbonic acid dimethyl ester (616-38-6) → 3,4-dimethylanisole (4685-47-6)

Guidance literature:

With dimanganese decacarbonyl; at 180 ℃; for 1h; Reagent/catalyst;

DOI:10.1134/S1070428015030070

Reference yield: 96.0%

3,4-Dimethylphenol (95-65-8) + dimethyl sulfate (77-78-1) → 3,4-dimethylanisole (4685-47-6)

Guidance literature:

With sodium hydroxide; at 0 - 50 ℃; for 2h;

Reference yield: 96.0%

4-bromo-o-xylene (583-71-1) + sodium methylate (124-41-4) → 3,4-dimethylanisole (4685-47-6)

Guidance literature:

With copper(I) bromide; In methanol; at 125 - 130 ℃; for 4h; Autoclave;

DOI:10.1080/00304940902958669

upstream raw materials:

3,4-Dimethylphenol

potassium methyl sulfate

4-methoxysalicylaldehyde

dimethyl sulfate

Downstream raw materials:

(4aR,9aS)-8-Methoxy-5,6-dimethyl-1,2,3,4,4a,9a-hexahydro-fluoren-9-one

2,3-dimethyl-6-methoxybenzaldehyde

2-methoxy-4,5-dimethylbenzaldehyde

dimethyl-3,4 phenyl-4 cyclohexene-2 one-1

Refernces

• 1、 Khusnutdinov,Shchadneva,Mayakova, Yu. Yu.. "Methylation of phenol and its derivatives with dimethyl carbonate in the presence of Mn2(CO)10, W(CO)6, and Co2(CO)8". . p. 330 - 334. Retrieved 2015/05/04.
• 2、 Du, Xiao-Hua,Luo, Da-Wei,Xu, Zhen-Yuan. "A novel synthesis of pendimethalin". experimental part. p. 249 - 252. Retrieved 2009/12/24.