2,4-Dichlorophenetole

Base Information

• Chemical Name: 2,4-Dichlorophenetole
• CAS No.: 5392-86-9
• Molecular Formula: C8H8Cl2O
• Molecular Weight: 191.057
• Hs Code.: 2909309090
• European Community (EC) Number: 226-397-2
• NSC Number: 6309
• UNII: ZK5N2E7AZ7
• DSSTox Substance ID: DTXSID60202205
• Nikkaji Number: J156.415C
• Wikidata: Q83075476
• Mol file: 5392-86-9.mol

Synonyms:2,4-Dichloro-1-ethoxybenzene;2,4-Dichlorophenetole;5392-86-9;Benzene, 2,4-dichloro-1-ethoxy-;Phenetole, 2,4-dichloro-;ZK5N2E7AZ7;Ethyl 2,4-dichlorophenyl ether;NSC-6309;EINECS 226-397-2;AI3-07214;NSC6309;Phenetole,4-dichloro-;UNII-ZK5N2E7AZ7;2,4-Dichlorophenylethyl ether;Benzene,4-dichloro-1-ethoxy-;SCHEMBL1547765;Benzene, 2,4-dichloro1-ethoxy;DTXSID60202205;NSC 6309;Benzene, 2, 4-dichloro-1-ethoxy-;MFCD06252292;AKOS006243240;CS-0194898;FT-0657417;E89979;A829838

Chemical Property of 2,4-Dichlorophenetole

Chemical Property:

• Vapor Pressure: 0.0627mmHg at 25°C
• Melting Point: 32°C
• Refractive Index: 1.527
• Boiling Point: 239.2 °C at 760 mmHg
• Flash Point: 80.9 °C
• PSA: 9.23000
• Density: 1.241 g/cm³
• LogP: 3.39210
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 189.9952203
• Heavy Atom Count: 11
• Complexity: 119

Purity/Quality:

99% ^*data from raw suppliers

2,4-Dichloro-1-ethoxybenzene 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1=C(C=C(C=C1)Cl)Cl

Technology Process of 2,4-Dichlorophenetole

There total 7 articles about 2,4-Dichlorophenetole 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: 87.0%

ethanol (64-17-5) + 1,3-dichloro-4-fluorobenzene (1435-48-9) → 2,4-dichloro-1-ethoxybenzene (5392-86-9)

Guidance literature:

With 2,3-dicyano-5,6-dichloro-p-benzoquinone; In 2,2,2-trifluoroethanol; 1,2-dichloro-ethane; at 40 ℃; for 48h; Irradiation;

DOI:10.1002/ejoc.202000337

Reference yield: 78.1%

boron trifluoride diethyl etherate (109-63-7) + 2,4-dichlorophenol (120-83-2,40477-79-0) → 2,4-dichloro-1-ethoxybenzene (5392-86-9)

Guidance literature:

at 120 ℃; for 4h; Reflux;

DOI:10.3390/molecules24203720

Reference yield: 49.0%

2-(2,4-dichlorophenoxy)propionic acid (120-36-5) → 2,4-dichloro-1-ethoxybenzene (5392-86-9)

Guidance literature:

With 2,4,6-trimethyl-pyridine; ammonium peroxydisulfate; cyclohexa-1,4-diene; In dimethylsulfoxide-d6; at 60 ℃; for 2h; Sealed tube; Inert atmosphere;

DOI:10.1021/acs.orglett.1c04079

upstream raw materials:

ethyl iodide

2,4-dichlorophenol

Phenetole

1-chloro-4-ethoxybenzene

Downstream raw materials:

2,4-dichlorophenol

2,4-dichloro-6-nitro-phenetole

Refernces

• 1、 Burton, Jonathan W.,Genovino, Julien,Lian, Yajing,Monck, Nat,Sheridan, Thomas,Yayla, Hatice G.. "Organophotochemical SNAr Reactions of Mildly Electron-Poor Fluoroarenes". supporting information. p. 2766 - 2770. Retrieved 2020/05/18.
• 2、 Watson, William David. "Formation of Nonaromatic Products in the Chlorination of Simple Substituted Aromatic Ethers". . p. 5270 - 5276. Retrieved 2007/10/02.