Benzyl p-tolyl ether

Base Information

• Chemical Name: Benzyl p-tolyl ether
• CAS No.: 834-25-3
• Molecular Formula: C14H14 O
• Molecular Weight: 198.265
• Hs Code.: 2909309090
• European Community (EC) Number: 212-636-8
• NSC Number: 63054
• UNII: Q89XED7DCR
• DSSTox Substance ID: DTXSID90232318
• Nikkaji Number: J110D
• Wikidata: Q83113338
• ChEMBL ID: CHEMBL3278099
• Mol file: 834-25-3.mol

Synonyms:Benzyl p-tolyl ether;834-25-3;Ether, benzyl p-tolyl;1-methyl-4-phenylmethoxybenzene;Benzene, 1-methyl-4-(phenylmethoxy)-;1-(Benzyloxy)-4-methylbenzene;Benzene,1-methyl-4-(phenylmethoxy)-;EINECS 212-636-8;NSC-63054;AI3-11682;4-Benzyloxytoluene;p-Kresylbenzylather;p-Tolylbenzyl ether;p-Tolyl benzyl ether;Q89XED7DCR;Benzyl 4-methylphenyl ether;NCIOpen2_000246;P-CRESYL BENZYL ETHER;SCHEMBL128703;4-methylphenoxy phenyl methane;Methyl-4-(phenylmethoxy)benzene;CHEMBL3278099;[(4-Methylphenoxy)methyl]benzene;DTXSID90232318;1-Methyl-4-(phenylmethoxy)benzene;NSC63054;NSC 63054;AKOS008912893;E86071

Chemical Property of Benzyl p-tolyl ether

Chemical Property:

• Vapor Pressure: 0.00125mmHg at 25°C
• Boiling Point: 308.3°C at 760 mmHg
• Flash Point: 120.4°C
• PSA: 9.23000
• Density: 1.041g/cm³
• LogP: 3.57400
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 198.104465066
• Heavy Atom Count: 15
• Complexity: 164

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)OCC2=CC=CC=C2

Technology Process of Benzyl p-tolyl ether

There total 55 articles about Benzyl p-tolyl ether 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%

p-cresol (106-44-5) + benzyl chloride (100-44-7) → 4-methylphenyl benzyl ether (834-25-3)

Guidance literature:

With potassium carbonate; In ethanol; at 78 ℃; for 5h;

Reference yield: 96.0%

p-cresol (106-44-5) + benzyl bromide (100-39-0) → 4-methylphenyl benzyl ether (834-25-3)

Guidance literature:

p-cresol; With cholin hydroxide; In water; at 20 ℃; for 0.25h;

benzyl bromide; In water; at 20 ℃; for 24h;

DOI:10.1002/bkcs.12138

Reference yield: 96.0%

4-methylphenylboronic acid (5720-05-8) + benzyl bromide (100-39-0) → 4-methylphenyl benzyl ether (834-25-3)

Guidance literature:

4-methylphenylboronic acid; With dihydrogen peroxide; cholin hydroxide; In water; at 20 ℃; for 1h; Green chemistry;

benzyl bromide; In water; at 20 ℃; for 2h; Green chemistry;

DOI:10.1016/j.tetlet.2020.152197

upstream raw materials:

p-cresol

benzyldimethylphenylammonium chloride

benzyl chloride

potassium p-cresolate

Downstream raw materials:

4-benzyloxybenzyl alcohol

4-nitrobenzyl nitrate

4-methylphenyl(phenyl)methanol

2-benzyl-4-methylphenol

Refernces

• 1、 Lopu?anskaja, Eleana,Kooli, Anni,Paju, Anne,J?rving, Ivar,Lopp, Margus. "Towards ortho-selective electrophilic substitution/addition to phenolates in anhydrous solvents". . . Retrieved 2021/02/16.
• 2、 -. "Application of iron (III) complex containing 1,3-di-tert-butyl imidazole cations in synthesis of aryl benzyl ether compounds". Paragraph 0030-0031. . Retrieved 2021/04/26.