(1-Phenoxyethyl)benzene

Base Information

• Chemical Name: (1-Phenoxyethyl)benzene
• CAS No.: 4747-11-9
• Molecular Formula: C14H14O
• Molecular Weight: 198.265
• European Community (EC) Number: 225-264-6
• NSC Number: 98401
• Nikkaji Number: J262.428A
• Mol file: 4747-11-9.mol

Synonyms:(1-Phenoxyethyl)benzene;4747-11-9;NSC98401;1-Phenyl-1-phenoxyethane;(1-Phenylethoxy)benzene #;NCIOpen2_001726;SCHEMBL4363303;EINECS 225-264-6;NSC 98401;NSC-98401;AKOS014091843

Chemical Property of (1-Phenoxyethyl)benzene

Chemical Property:

• Vapor Pressure: 0.00341mmHg at 25°C
• Boiling Point: 291.4°Cat760mmHg
• Flash Point: 112.7°C
• PSA: 9.23000
• Density: 1.035g/cm³
• LogP: 3.82660
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 198.104465066
• Heavy Atom Count: 15
• Complexity: 166

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C1=CC=CC=C1)OC2=CC=CC=C2

Technology Process of (1-Phenoxyethyl)benzene

There total 18 articles about (1-Phenoxyethyl)benzene 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: 95.0%

(benzyloxy)benzene (946-80-5) + methyl iodide (74-88-4) → α-phenoxyethylbenzene (4747-11-9)

Guidance literature:

(benzyloxy)benzene; With tert.-butyl lithium; In tetrahydrofuran; pentane; at -78 - -60 ℃; for 0.416667h; Inert atmosphere;

methyl iodide; With deuteromethanol; In tetrahydrofuran; water; pentane; at -60 - 20 ℃; Inert atmosphere;

DOI:10.1021/acs.orglett.5b01964

Reference yield: 95.0%

methyl cation (14531-53-4) + (benzyloxy)benzene (946-80-5) → α-phenoxyethylbenzene (4747-11-9)

Guidance literature:

(benzyloxy)benzene; With tert.-butyl lithium; In tetrahydrofuran; pentane; at -78 ℃; for 0.416667h; Schlenk technique; Inert atmosphere;

methyl cation; In tetrahydrofuran; pentane; at -78 - 20 ℃; Schlenk technique; Inert atmosphere;

DOI:10.1002/chem.201602254

Reference yield: 89.0%

1-Phenylethanol (98-85-1,13323-81-4) + phenol (108-95-2,27073-41-2) → α-phenoxyethylbenzene (4747-11-9)

Guidance literature:

With iodine; In chloroform; for 1.5h; regioselective reaction; Heating; Reflux; Green chemistry;

DOI:10.1016/j.tetlet.2021.153370

upstream raw materials:

(1-bromoethyl)benzne

phenol

α-methylbenzeneacetic acid phenyl ester

(R)-1-phenyl-ethyl-amine

Downstream raw materials:

(E)-1,4-diphenylpent-1-en-3-ol

styrene

1-Phenylethanol

phenol