2,5-Dichloroanisole

Base Information

• Chemical Name: 2,5-Dichloroanisole
• CAS No.: 1984-58-3
• Molecular Formula: C7H6Cl2O
• Molecular Weight: 177.03
• Hs Code.: 29093090
• European Community (EC) Number: 217-852-6
• UNII: 8B3J0Y3CJ1
• DSSTox Substance ID: DTXSID8027452
• Nikkaji Number: J7.841G
• Wikidata: Q27270131
• ChEMBL ID: CHEMBL3182938
• Mol file: 1984-58-3.mol

Synonyms:2,5-Dichloroanisole;1984-58-3;1,4-DICHLORO-2-METHOXYBENZENE;Benzene, 1,4-dichloro-2-methoxy-;Anisole, 2,5-dichloro-;EINECS 217-852-6;UNII-8B3J0Y3CJ1;8B3J0Y3CJ1;DTXSID8027452;1,4-Dichloro-2-methoxy-benzene;2,5-Dichloromethoxybenzene;Banair;decarboxy-dicamba;2,5-Dichloroanizole;2,5 -Dichloroanisole;SCHEMBL254432;DTXCID807452;CHEMBL3182938;QKMNFFSBZRGHDJ-UHFFFAOYSA-;2,5-Dichlorophenol, methyl ether;STR03262;Tox21_200952;CK1198;MFCD00061123;AKOS005216327;CS-W005884;PS-3794;NCGC00248884-01;NCGC00258505-01;CAS-1984-58-3;LS-195322;D2605;FT-0610298;EN300-118623;A813991;Q27270131

Chemical Property of 2,5-Dichloroanisole

Chemical Property:

• Appearance/Colour: clear colorless to very slightly yellow liquid
• Vapor Pressure: 0.185mmHg at 25°C
• Melting Point: 24 °C
• Refractive Index: 1.5615-1.5635
• Boiling Point: 218.483 °C at 760 mmHg
• Flash Point: 87.862 °C
• PSA: 9.23000
• Density: 1.289 g/cm³
• LogP: 3.00200
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 175.9795702
• Heavy Atom Count: 10
• Complexity: 108

Purity/Quality:

98%,99%, ^*data from raw suppliers

1,4-Dichloro-2-methoxybenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,Xi
• Hazard Codes: Xn,Xi
• Statements: 36/37/38-20/22
• Safety Statements: 37/39-26-23

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2,5-Dichloroanisole

There total 11 articles about 2,5-Dichloroanisole 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: 88.0%

sodium methylate (124-41-4) + 1,2,4-Trichlorobenzene (120-82-1,63697-18-7) → 2,5-dichloroanisole (1984-58-3)

Guidance literature:

In N,N,N,N,N,N-hexamethylphosphoric triamide; at 120 ℃; for 1h;

DOI:10.1016/S0040-4020(01)97647-1

Reference yield: 64.6%

methanol (67-56-1) + 1,2,4-Trichlorobenzene (120-82-1,63697-18-7) → 2,5-dichlorophenol (583-78-8) + 3,4-dichlorophenol (95-77-2) + 1,3-dichloro-4-methoxybenzene (553-82-2) + 2,5-dichloroanisole (1984-58-3) + 2,4-dichlorophenol (120-83-2,40477-79-0) + 3,4-dichloroanisole (36404-30-5)

Guidance literature:

With water; sodium hydroxide; at 190 ℃; for 1.5h; Autoclave;

Reference yield: 50.0%

methanol (67-56-1) + 2-methoxy-3,6-dichloroprop-1-enylbenzene → 2,5-dichloro-6-methoxybenzaldehyde dimethyl acetal + 2,5-dichloroanisole (1984-58-3)

Guidance literature:

With potassium fluoride; at 55 - 60 ℃; Electrochemical reaction;

DOI:10.1134/S1070427206040355

upstream raw materials:

2-bromo-1,4-dichlorobenzene

sodium methylate

2,5-dichloroiodobenzene

1,4-dichloro-2-fluorobenzene

Downstream raw materials:

1,4-dichloro-2-methoxy-5-nitrobenzene

chloromethyl-(2,5-dichloro-phenyl)-ether

3,6-dichloro-2,4-dinitro-anisole

4-chloro-m-anisidine

Refernces

• 1、 Pepitone, Michael F.,Eaiprasertsak, Kalya,Hardaker, Stephen S.,Gregory, Richard V.. "Synthesis of bis[(3,4-ethylenedioxy)thien-2-yl]-substituted benzenes". . p. 5637 - 5641. Retrieved 2004.
• 2、 -. "PROCESS FOR HYDROLYZING 1,2,4-TRIHALOBENZENE". Page/Page column 11. . Retrieved 2015/04/22.