2,4-Dimethylanisole

Base Information

• Chemical Name: 2,4-Dimethylanisole
• CAS No.: 6738-23-4
• Molecular Formula: C9H12O
• Molecular Weight: 136.194
• Hs Code.: 29093090
• European Community (EC) Number: 229-794-9
• NSC Number: 137834
• UNII: 5V1B5L4GK6
• DSSTox Substance ID: DTXSID60217733
• Nikkaji Number: J149.887H
• Wikidata: Q27262903
• Metabolomics Workbench ID: 45292
• Mol file: 6738-23-4.mol

Synonyms:2,4-Dimethylanisole;6738-23-4;1-Methoxy-2,4-dimethylbenzene;Benzene, 1-methoxy-2,4-dimethyl-;UNII-5V1B5L4GK6;5V1B5L4GK6;1-methoxy-2,4-dimethyl-benzene;EINECS 229-794-9;NSC-137834;AI3-21151;FEMA 3828;Benzene,1-methoxy-2,4-dimethyl-;NSC137834;2,4-dimethyl anisole;2,4-dimethyl-anisole;O(C)c1ccc(C)cc1C;4-METHOXY-M-XYLENE;2,4-Dimethylanisole, 97%;SCHEMBL144308;FEMA NO. 3828;2,4-Dimethylanisole, >=97%;UJCFZCTTZWHRNL-UHFFFAOYSA-;DTXSID60217733;CHEBI:167413;1-Methoxy-2,4-dimethylbenzene #;2,4-DIMETHYLANISOLE [FHFI];MFCD00008377;1-Methoxy-2,4-dimethylbenzene, 9CI;AKOS008952388;NSC 137834;AS-59720;CS-0153319;FT-0610169;D97418;EN300-1250813;A835729;J-017517;Q27262903

Chemical Property of 2,4-Dimethylanisole

Chemical Property:

• Appearance/Colour: clear colourless liquid
• Refractive Index: n20/D 1.514(lit.)
• Boiling Point: 192 °C at 760 mmHg
• Flash Point: 65.1 °C
• PSA: 9.23000
• Density: 0.932 g/cm³
• LogP: 2.31200
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3.1
• 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:

99.5% ^*data from raw suppliers

1-Methoxy-2,4-dimethylbenzene 95+% ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1)OC)C

Technology Process of 2,4-Dimethylanisole

There total 30 articles about 2,4-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: 97.0%

3,6-dimethoxy-3,6-dimethylcyclohexa-1,4-diene (132907-18-7) → 2,4-dimethylanisole (6738-23-4)

Guidance literature:

With sulfuric acid; In diethyl ether; for 1h;

DOI:10.1016/S0040-4020(01)88530-6

Reference yield: 83.0%

tetramethlyammonium chloride (75-57-0) + 2,4-Xylenol (105-67-9) → 2,4-dimethylanisole (6738-23-4)

Guidance literature:

With sodium hydroxide; at 150 - 160 ℃; for 6h;

Reference yield: 72.23%

dimethyl sulfate (77-78-1) + 2,4-Xylenol (105-67-9) → 2,4-dimethylanisole (6738-23-4)

Guidance literature:

With sodium hydroxide; In tetrahydrofuran; water; at 30 - 45 ℃; for 6h;

DOI:10.1007/s00044-019-02381-x

upstream raw materials:

3-methyl-4-anisaldehyde

2-methoxy-5-methylbenzyl chloride

2-methoxy-5-methylbenzaldehyde

bis-(4-methoxy-3-methyl-benzyl)-ether

Downstream raw materials:

3-(5-methoxy-2,4-dimethylbenzoyl)propionic acid

2,4-Xylenol

2-iodo-3,5-dimethyl-2-cyclohexen-1-one

4-methoxyisophthalic acid

Refernces

• 1、 Yu, Congjun,?zkaya, Bünyamin,Patureau, Frederic W.. "Electro-Oxidative Selective Esterification of Methylarenes and Benzaldehydes". supporting information. p. 3682 - 3687. Retrieved 2021/02/01.
• 2、 Chen, Guangling,Wang, Chaoqing,Zhang, Zhihao,Liu, Xiujie. "Synthesis and in vitro activities on anti-platelet aggregation of 4-methoxy-1,3-phthalamidesamides and benzenedisulfonamides". . p. 1413 - 1424. Retrieved 2019/06/20.