p-Chlorophenylpropylene oxide

Base Information

• Chemical Name: p-Chlorophenylpropylene oxide
• CAS No.: 36519-91-2
• Molecular Formula: C9H9ClO
• Molecular Weight: 168.623
• DSSTox Substance ID: DTXSID10957819
• Nikkaji Number: J3.260.184G
• Mol file: 36519-91-2.mol

Synonyms:2-[(4-chlorophenyl)methyl]oxirane;p-Chlorophenylpropylene oxide;36519-91-2;4-Allylchlorobenzene oxide;CCRIS 1138;((4-Chlorophenyl)methyl)oxirane;BRN 1364475;Oxirane, 2-((4-chlorophenyl)methyl)-;2-(4-chlorobenzyl)oxirane;SCHEMBL1499186;DTXSID10957819;ZPEVFFRSZBVWGB-UHFFFAOYSA-N;1-(4-chlorophenyl)-2,3-epoxypropane;AKOS026730897;EN300-698550

Chemical Property of p-Chlorophenylpropylene oxide

Chemical Property:

• Vapor Pressure: 0.0546mmHg at 25°C
• Boiling Point: 241.8°C at 760 mmHg
• Flash Point: 104.5°C
• Density: 1.253g/cm³
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 168.0341926
• Heavy Atom Count: 11
• Complexity: 130

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1C(O1)CC2=CC=C(C=C2)Cl

Technology Process of p-Chlorophenylpropylene oxide

There total 3 articles about p-Chlorophenylpropylene oxide 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: 99.0%

1-allyl-4-chlorobenzene (1745-18-2) → (4-chloro-benzyl)-oxirane (36519-91-2)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; In dichloromethane; at 0 ℃; for 2h; Inert atmosphere;

DOI:10.1021/jo4014996

Reference yield:

1-allyl-4-chlorobenzene (1745-18-2) + 3-chloro-benzenecarboperoxoic acid (937-14-4) → (4-chloro-benzyl)-oxirane (36519-91-2)

Guidance literature:

In chloroform;

Reference yield:

bromochlorobenzene (106-39-8) → (4-chloro-benzyl)-oxirane (36519-91-2)

Guidance literature:

Multi-step reaction with 2 steps

1.1: magnesium; iodine / diethyl ether / Inert atmosphere; Reflux

1.2: 2.08 h / 0 - 20 °C / Inert atmosphere

2.1: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 2 h / 0 °C / Inert atmosphere

With iodine; magnesium; 3-chloro-benzenecarboperoxoic acid; In diethyl ether; dichloromethane;

DOI:10.1021/jo4014996

upstream raw materials:

1-allyl-4-chlorobenzene

3-chloro-benzenecarboperoxoic acid

bromochlorobenzene

Downstream raw materials:

5-(4-chloro-benzyl)-oxazolidin-2-one

3-(4-chlorophenyl)-2-isopropoxypropan-1-ol

1-(3-bromo-2-ethoxypropyl)-4-chlorobenzene

1-((2-amino-5-methylphenyl)amino)-3-(4-chlorophenyl)propan-2-ol