m-(Benzyloxy)toluene

Base Information

• Chemical Name: m-(Benzyloxy)toluene
• CAS No.: 834-17-3
• Molecular Formula: C14H14 O
• Molecular Weight: 198.265
• Hs Code.: 2909309090
• European Community (EC) Number: 212-635-2
• UNII: 3ELF78FA8T
• DSSTox Substance ID: DTXSID30232317
• Nikkaji Number: J195.104A
• Wikidata: Q83113337
• Mol file: 834-17-3.mol

Synonyms:m-(Benzyloxy)toluene;834-17-3;Benzene, 1-methyl-3-(phenylmethoxy)-;1-methyl-3-phenylmethoxybenzene;1-benzyloxy-3-methyl-benzene;EINECS 212-635-2;Benzene,1-methyl-3-(phenylmethoxy)-;3ELF78FA8T;3-(BENZYLOXY)TOLUENE;m-Tolylbenzyl ether;Ether, benzyl m-tolyl;UNII-3ELF78FA8T;Benzyl 3-methylphenyl ether;SCHEMBL685837;1-(Benzyloxy)-3-methylbenzene;DTXSID30232317;AKOS008913178;1-METHYL-3-(PHENYLMETHOXY)BENZENE;BB 0258788

Chemical Property of m-(Benzyloxy)toluene

Chemical Property:

• Vapor Pressure: 0.00109mmHg at 25°C
• Boiling Point: 310.5°C at 760 mmHg
• Flash Point: 121.4°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: 172

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of m-(Benzyloxy)toluene

There total 15 articles about m-(Benzyloxy)toluene 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%

1-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-3-methylbenzene (62790-75-4) + benzyl bromide (100-39-0) → 3-benzyloxytoluene (834-17-3)

Guidance literature:

With cesium fluoride; In N,N-dimethyl-formamide; for 12h; Product distribution; Ambient temperature; other metal fluoride;

DOI:10.1055/s-1997-3267

Reference yield: 95.0%

benzyl bromide (100-39-0) + 3-methyl-phenol (108-39-4) → 3-benzyloxytoluene (834-17-3)

Guidance literature:

3-methyl-phenol; 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: 94.0%

3-acetoxytoluene (122-46-3) + benzyl bromide (100-39-0) → 3-benzyloxytoluene (834-17-3)

Guidance literature:

With sodium methylate; In N,N-dimethyl-formamide; for 0.5h; Ambient temperature;

DOI:10.1055/s-1997-3267

upstream raw materials:

sodium 3-methylphenoxide

benzyl chloride

benzyldimethylphenylammonium chloride

3-methyl-phenol

Downstream raw materials:

m-methylcyclohexanol

3-methyl-phenol

toluene

3-acetoxytoluene

Refernces

• 1、 Joo, Seong-Ryu,Kim, Seung-Hoi,Kwon, Gyu-Tae,Park, Soo-Youl. "Choline Hydroxide as a Versatile Medium for Catalyst-Free O-Functionalization of Phenols". . p. 1200 - 1205. Retrieved 2020/11/30.
• 2、 Dai, Xi-Jie,Li, Chao-Jun. "En Route to a Practical Primary Alcohol Deoxygenation". supporting information. p. 5433 - 5440. Retrieved 2016/05/19.