2,3,5-Trimethylanisole

Base Information

• Chemical Name: 2,3,5-Trimethylanisole
• CAS No.: 20469-61-8
• Molecular Formula: C10H14O
• Molecular Weight: 150.221
• Hs Code.: 29093090
• European Community (EC) Number: 243-843-1
• UNII: O4G1J78BTB
• DSSTox Substance ID: DTXSID90174441
• Nikkaji Number: J280.603G
• Wikidata: Q72513911
• Mol file: 20469-61-8.mol

Synonyms:2,3,5-Trimethylanisole;20469-61-8;1-Methoxy-2,3,5-trimethylbenzene;Benzene, 1-methoxy-2,3,5-trimethyl-;O4G1J78BTB;EINECS 243-843-1;Anisole, 2,3,5-trimethyl;1-Methoxy-2,3,5-trimethyl-benzene;2,3,5-Trimethylanizole;2,3,5-Trimethyl anisole;UNII-O4G1J78BTB;SCHEMBL203782;DTXSID90174441;1-Methoxy-2,3,5-trimethylbenzol;MFCD00142783;AKOS015890127;DS-16229;A4452;CS-0153350;FT-0609457;FT-0671384;T2456;D70095;J-011517

Chemical Property of 2,3,5-Trimethylanisole

Chemical Property:

• Appearance/Colour: Colourless Oil
• Refractive Index: 1.518-1.52
• Boiling Point: 220.9 °C at 760 mmHg
• Flash Point: 80.9 °C
• PSA: 9.23000
• Density: 0.925 g/cm³
• LogP: 2.62040
• Storage Temp.: Store at RT.
• Solubility.: Chloroform, Dichloromethane, Tetrahydrofuran
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 150.104465066
• Heavy Atom Count: 11
• Complexity: 122

Purity/Quality:

97.00% ^*data from raw suppliers

1-Methoxy-2,3,5-trimethylbenzene ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C(=C1)OC)C)C
• Uses: 1-Methoxy-2,3,5-trimethylbenzene (cas# 20469-61-8) is a compound useful in organic synthesis.

Technology Process of 2,3,5-Trimethylanisole

There total 11 articles about 2,3,5-Trimethylanisole 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: 99.8%

2,3,5-trimethylphenol (697-82-5) + methyl iodide (74-88-4) → 2,3,5-trimethylanisole (20469-61-8)

Guidance literature:

With sodium hydride; In dimethyl sulfoxide; for 10h; Ambient temperature;

Reference yield: 99.0%

2,3,5-trimethylphenol (697-82-5) + carbonic acid dimethyl ester (616-38-6) → 2,3,5-trimethylanisole (20469-61-8)

Guidance literature:

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

DOI:10.1134/S1070428015030070

Reference yield: 82.6%

1,2,4-Trimethylbenzene (95-63-6) + acetic acid (64-19-7,77671-22-8) → 2,3,5-Trimethyl-1,4-benzoquinone (935-92-2) + Duroquinone (527-17-3,70128-24-4) + 2,3,5-trimethylanisole (20469-61-8) + 2,3,6-trimethylphenyl acetate (62687-45-0) + 1-methoxy-2,4,5-trimethylbenzene (21573-38-6) + 3-acetoxy-2,5-dihydroxy-5-carboxy-2,3,5-trimethylpentan-4-olide (109576-73-0)

Guidance literature:

With peracetic acid; at 70 ℃; for 0.5h; Product distribution; Kinetics; Thermodynamic data; other reaction time: 4 h.;

upstream raw materials:

2,3,5-trimethylphenol

dimethyl sulfate

peracetic acid

1,2,4-Trimethylbenzene

Downstream raw materials:

2,3,5-trimethyl-1-acetoxybenzene

2,3,5-Trimethyl-1,4-benzoquinone

1-iodo-4-methoxy-2,3,5-trimethylbenzene

Refernces

• 1、 Rinkel, Jan,Babczyk, Alexander,Wang, Tao,Stadler, Marc,Dickschat, Jeroen S.. "Volatiles from the hypoxylaceous fungi Hypoxylon griseobrunneum and Hypoxylon macrocarpum". . p. 2974 - 2990. Retrieved 2019/01/05.
• 2、 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.