Allyl 2-Chlorophenyl Ether

Base Information

• Chemical Name: Allyl 2-Chlorophenyl Ether
• CAS No.: 20788-42-5
• Molecular Formula: C9H9 Cl O
• Molecular Weight: 168.623
• Hs Code.: 2909309090
• European Community (EC) Number: 653-783-1
• NSC Number: 158564
• DSSTox Substance ID: DTXSID50303492
• Nikkaji Number: J330.004H
• Wikidata: Q82048821
• Mol file: 20788-42-5.mol

Synonyms:Allyl 2-Chlorophenyl Ether;20788-42-5;allyl o-chlorophenyl ether;1-chloro-2-prop-2-enoxybenzene;1-(allyloxy)-2-chlorobenzene;1-chloro-2-(prop-2-en-1-yloxy)benzene;allyl (2-chlorophenyl) ether;SCHEMBL1903030;DTXSID50303492;NQQZRGSSVFDPLC-UHFFFAOYSA-N;MFCD00018249;NSC158564;(2-chlorophenyl) (2-propenyl) ether;AKOS006229957;NSC-158564;benzene, 1-chloro-2-(2-propenyloxy)-;FT-0638047;InChI=1/C9H9ClO/c1-2-7-11-9-6-4-3-5-8(9)10/h2-6H,1,7H

Chemical Property of Allyl 2-Chlorophenyl Ether

Chemical Property:

• Vapor Pressure: 0.107mmHg at 25°C
• Boiling Point: 229.1°Cat760mmHg
• Flash Point: 97.4°C
• PSA: 9.23000
• Density: 1.098g/cm³
• LogP: 2.90480
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 168.0341926
• Heavy Atom Count: 11
• Complexity: 125

Purity/Quality:

98% ^*data from raw suppliers

ALLYL-2-CHLOROPHENYL ETHER 95.00% ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CCOC1=CC=CC=C1Cl

Technology Process of Allyl 2-Chlorophenyl Ether

There total 11 articles about Allyl 2-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: 99.0%

allyl bromide (106-95-6) + sodium 2-chlorophenoxide (35535-81-0) → allyl 2-chlorophenyl ether (20788-42-5)

Guidance literature:

With potassium carbonate; In water; acetonitrile; at 50 ℃; for 48h; Reagent/catalyst;

DOI:10.1055/s-0040-1705945

Reference yield: 93.0%

2-monochlorophenol (95-57-8) + allyl bromide (106-95-6) → allyl 2-chlorophenyl ether (20788-42-5)

Guidance literature:

With potassium carbonate; In ethanol; at 70 ℃; for 10h; regioselective reaction;

DOI:10.1080/00397911.2019.1695838

Reference yield: 84.0%

potassium (2-(allyloxy)phenyl)trifluoroborate → allyl 2-chlorophenyl ether (20788-42-5)

Guidance literature:

With trichloroisocyanuric acid; In water; ethyl acetate; at 20 ℃; for 1h; Open flask;

DOI:10.1021/jo201313a

upstream raw materials:

2-monochlorophenol

allyl bromide

sodium 2-chlorophenoxide

3-chloroprop-1-ene

Downstream raw materials:

2-chloro-6-(prop-2-en-1-yl)phenol

Dichloro-[3-(2-chloro-phenoxy)-propyl]-methyl-silane

1-allyloxy-2-chloro-4-chloromethylbenzene

[3-(2-chlorophenoxy)propyl]triethoxysilane