Benzyl 3-chlorophenyl ether

Base Information

• Chemical Name: Benzyl 3-chlorophenyl ether
• CAS No.: 24318-02-3
• Molecular Formula: C13H11 Cl O
• Molecular Weight: 218.683
• Hs Code.: 2909309090
• DSSTox Substance ID: DTXSID10179059
• Nikkaji Number: J1.185.864C
• Wikidata: Q83049584
• Mol file: 24318-02-3.mol

Synonyms:Benzyl 3-chlorophenyl ether;24318-02-3;1-(Benzyloxy)-3-chlorobenzene;1-chloro-3-phenylmethoxybenzene;Ether, benzyl m-chlorophenyl;SCHEMBL3823697;DTXSID10179059;MFCD05863215;AKOS008913121;BS-51167;CS-0193156;E84285;AE-095/31499006

Chemical Property of Benzyl 3-chlorophenyl ether

Chemical Property:

• Vapor Pressure: 0.000573mmHg at 25°C
• Melting Point: 59 °C
• Boiling Point: 321.1°Cat760mmHg
• Flash Point: 149°C
• PSA: 9.23000
• Density: 1.175g/cm³
• LogP: 3.91900
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 218.0498427
• Heavy Atom Count: 15
• Complexity: 177

Purity/Quality:

99% ^*data from raw suppliers

Benzyl3-chlorophenylether 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)COC2=CC(=CC=C2)Cl

Technology Process of Benzyl 3-chlorophenyl ether

There total 3 articles about Benzyl 3-chlorophenyl 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%

3-Nitrochlorobenzene (121-73-3) + benzyl alcohol (100-51-6,185532-71-2) → 1-(benzyloxy)-3-chlorobenzene (24318-02-3)

Guidance literature:

With potassium hydroxide; tetrabutylammomium bromide; In various solvent(s); 1) 5 h, room temperature, 2) 3 h, 50 deg C; other nitrobenzene derivatives, other reaction times and temperatures;

Reference yield: 84.0%

3-iodochlorobenzene (625-99-0) + benzyl bromide (100-39-0) → 1-(benzyloxy)-3-chlorobenzene (24318-02-3)

Guidance literature:

3-iodochlorobenzene; With tetra(n-butyl)ammonium hydroxide; In water; dimethyl sulfoxide; at 165 ℃; for 0.166667h; Flow reactor;

benzyl bromide; In water; dimethyl sulfoxide; at 150 ℃; for 0.0666667h; Flow reactor;

DOI:10.1055/s-0033-1338634

Reference yield:

→ 1-(benzyloxy)-3-chlorobenzene (24318-02-3)

Guidance literature:

/BRN= 2260333/;

upstream raw materials:

3-Nitrochlorobenzene

benzyl alcohol

3-iodochlorobenzene

benzyl bromide

Downstream raw materials:

1-[3-(benzyloxy)phenyl]cyclohexanecarbaldehyde

N-(3-benzyloxyphenyl)methylisopropylamine

4-cyano-2-benzyloxypyridine

5-(benzyloxy)bicyclo[4.2.0]octa-1⁽⁶⁾,2,4-trien-7-one

Refernces

• 1、 Effenberger, Franz,Koch, Markus,Streicher, Willi. "Nucleophilic Substitution of Nitrite in Nitrobenzenes, Nitrobiphenyls and Nitronaphthalenes". . p. 163 - 173. Retrieved 2007/10/02.