1-(Ethoxymethyl)-4-methylbenzene

Base Information

• Chemical Name: 1-(Ethoxymethyl)-4-methylbenzene
• CAS No.: 54191-22-9
• Molecular Formula: C10H14O
• Molecular Weight: 150.221
• DSSTox Substance ID: DTXSID60508214
• Nikkaji Number: J1.004.320D
• Wikidata: Q82364953
• Mol file: 54191-22-9.mol

Synonyms:1-(Ethoxymethyl)-4-methylbenzene;54191-22-9;SCHEMBL257780;1-ethoxymethyl-4-methyl benzene;DTXSID60508214;FIDCVOWDKPLFMW-UHFFFAOYSA-N;(4-Methylphenyl) methanol, ethyl ether;EN300-6499419

Chemical Property of 1-(Ethoxymethyl)-4-methylbenzene

Chemical Property:

• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 150.104465066
• Heavy Atom Count: 11
• Complexity: 93

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOCC1=CC=C(C=C1)C

Technology Process of 1-(Ethoxymethyl)-4-methylbenzene

There total 27 articles about 1-(Ethoxymethyl)-4-methylbenzene 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: 90.0%

sodium ethanolate (141-52-6) + 4-Methylbenzyl chloride (104-82-5) → 1-(ethoxymethyl)-4-methylbenzene (54191-22-9)

Guidance literature:

In ethanol; for 14h; Ambient temperature;

DOI:10.1021/ja00543a032

Reference yield: 73.0%

diethoxymethylane (2031-62-1) + 4-methyl-benzaldehyde (104-87-0) → 1-(ethoxymethyl)-4-methylbenzene (54191-22-9)

Guidance literature:

diethoxymethylane; 4-methyl-benzaldehyde; With dicarbonyl(pentamethylcyclopentadienyl)(4-methoxyphenyl)iron; In dichloromethane; for 4h; Inert atmosphere; Irradiation; Schlenk technique;

With sodium hydroxide; In methanol; water; Inert atmosphere; Schlenk technique;

DOI:10.1016/j.tetlet.2012.07.038

Reference yield: 56.0%

4-methyl-benzaldehyde (104-87-0) + l'α-chloro α-ethoxymethyltributyletain (79411-60-2) → 1-(ethoxymethyl)-4-methylbenzene (54191-22-9)

Guidance literature:

DOI:10.1016/S0022-328X(00)99500-7

upstream raw materials:

4-Methylbenzyl chloride

sodium ethanolate

ethanol

p-Methylbenzyl Trifluoromethanesulfinate

Downstream raw materials:

4-methyl-benzaldehyde

p-Toluic acid