1-Chloro-4-[2-(4-methoxyphenyl)ethyl]benzene

Base Information

• Chemical Name: 1-Chloro-4-[2-(4-methoxyphenyl)ethyl]benzene
• CAS No.: 15107-41-2
• Molecular Formula: C15H15 Cl O
• Molecular Weight: 246.737
• NSC Number: 122589
• DSSTox Substance ID: DTXSID50298334
• Wikidata: Q82040082
• Mol file: 15107-41-2.mol

Synonyms:15107-41-2;1-chloro-4-[2-(4-methoxyphenyl)ethyl]benzene;NSC122589;SCHEMBL5253951;DTXSID50298334;NSC-122589

Chemical Property of 1-Chloro-4-[2-(4-methoxyphenyl)ethyl]benzene

Chemical Property:

• Vapor Pressure: 0.000303mmHg at 25°C
• Boiling Point: 331.3°Cat760mmHg
• Flash Point: 154.8°C
• Density: 1.127g/cm³
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 246.0811428
• Heavy Atom Count: 17
• Complexity: 203

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)CCC2=CC=C(C=C2)Cl

Technology Process of 1-Chloro-4-[2-(4-methoxyphenyl)ethyl]benzene

There total 10 articles about 1-Chloro-4-[2-(4-methoxyphenyl)ethyl]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: 80.0%

4-vinylbenzyl chloride (1073-67-2,24991-47-7) + 4-methoxyphenyl triflate (66107-29-7) → 1-chloro-4-(4-methoxyphenethyl)benzene (15107-41-2) + (R)-1-chloro-4-(1-(4-methoxyphenyl)ethyl)benzene

Guidance literature:

With potassium phosphate monohydrate; (1,2-dimethoxyethane)dichloronickel(II); C₂₄H₂₄N₂O; In methanol; diethyl ether; toluene; at 0 ℃; for 24h; regioselective reaction; Sealed tube;

DOI:10.1055/a-1523-3228

Reference yield: 51.0%

4-vinylbenzyl chloride (1073-67-2,24991-47-7) + 4-methoxyphenyl triflate (66107-29-7) → 1-chloro-4-(4-methoxyphenethyl)benzene (15107-41-2)

Guidance literature:

With nickel(II) bromide trihydrate; rac-1,2-diphenylethylene-1,2-diamine; cesium fluoride; In tetrahydrofuran; at 25 ℃; for 24h; regioselective reaction; Sealed tube;

DOI:10.1055/a-1523-3228

Reference yield: 48.0%

bromochlorobenzene (106-39-8) + 2-(p-methoxyphenyl)ethyl toluene-p-sulphonate (5107-52-8) → 1-chloro-4-(4-methoxyphenethyl)benzene (15107-41-2)

Guidance literature:

With copper(l) iodide; lithium methanolate; magnesium; bis-diphenylphosphinomethane; In tetrahydrofuran; at 20 ℃; for 24h; Inert atmosphere; Schlenk technique;

DOI:10.1002/chem.201405223

upstream raw materials:

Triphenyl-<1-(4-chlor-phenyl)-2-(4-methoxyphenyl)-aethyl>-phosphoniumbromid

p-Methoxybenzyl bromide

(4-chlorobenzyl)triphenylphosphonium chloride

1-Chloro-4-(chloromethyl)benzene