Benzene, 1-methyl-4-[(phenylmethoxy)methyl]-

Base Information

• Chemical Name: Benzene, 1-methyl-4-[(phenylmethoxy)methyl]-
• CAS No.: 65299-82-3
• Molecular Formula: C15H16O
• Molecular Weight: 212.291
• European Community (EC) Number: 653-173-5
• DSSTox Substance ID: DTXSID70392388
• Nikkaji Number: J1.092.627K
• Wikidata: Q82190571
• Mol file: 65299-82-3.mol

Synonyms:65299-82-3;Benzene, 1-methyl-4-[(phenylmethoxy)methyl]-;4-Methylbenzylbenzyl ether;SCHEMBL257896;DTXSID70392388;AKOS024323817;1-[(benzyloxy)methyl]-4-methylbenzene

Chemical Property of Benzene, 1-methyl-4-[(phenylmethoxy)methyl]-

Chemical Property:

• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 212.120115130
• Heavy Atom Count: 16
• Complexity: 176

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)COCC2=CC=CC=C2

Technology Process of Benzene, 1-methyl-4-[(phenylmethoxy)methyl]-

There total 10 articles about Benzene, 1-methyl-4-[(phenylmethoxy)methyl]- 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: 96.0%

benzyloxy-trimethylsilane (14642-79-6) + 4-methyl-benzaldehyde (104-87-0) → 1-methyl-4-{[(phenylmethyl)oxy]methyl}benzene (65299-82-3)

Guidance literature:

With triethylsilane; iron(III) chloride; In nitromethane; at 20 ℃; for 0.25h;

DOI:10.1055/s-2004-834942

Reference yield: 94.0%

4-methyl-benzaldehyde (104-87-0) + benzyl alcohol (100-51-6,185532-71-2) → 1-methyl-4-{[(phenylmethyl)oxy]methyl}benzene (65299-82-3)

Guidance literature:

With hydrogenchloride; 1,1,3,3-Tetramethyldisiloxane; 1,3-bis(4-cyano-3,5-bis(trifluoromethyl)phenyl)thiourea; In 1,4-dioxane; dichloromethane; at 20 ℃; for 0.333333h; Reagent/catalyst; Catalytic behavior; Molecular sieve;

DOI:10.1021/jacs.7b05832

Reference yield: 91.0%

4-Methylbenzyl alcohol (589-18-4) + benzyl chloride (100-44-7) → 1-methyl-4-{[(phenylmethyl)oxy]methyl}benzene (65299-82-3)

Guidance literature:

With iron(III) perchlorate; at 100 ℃; for 0.5h; neat (no solvent);

DOI:10.1007/s00706-008-0054-x

upstream raw materials:

acetic acid

N-nitroso-N-benzyl-O-(p-methylbenzyl)hydroxylamine

2-(4-methylphenyl)-1,3-dioxolane

benzyloxy-trimethylsilane

Downstream raw materials:

para-xylene

4,4,5,5-tetramethyl-2-((4-methylbenzyl)oxy)-1,3,2-dioxaborolane

2-(benzyloxy)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

4-Methylbenzyl alcohol