3,5-Dichloroanisole

Base Information

• Chemical Name: 3,5-Dichloroanisole
• CAS No.: 33719-74-3
• Molecular Formula: C7H6Cl2O
• Molecular Weight: 177.03
• Hs Code.: 29093090
• European Community (EC) Number: 251-655-6
• DSSTox Substance ID: DTXSID80187404
• Nikkaji Number: J88.881H
• Wikidata: Q72465422
• Mol file: 33719-74-3.mol

Synonyms:3,5-Dichloroanisole;33719-74-3;1,3-Dichloro-5-methoxybenzene;Benzene, 1,3-dichloro-5-methoxy-;Benzene, 3,5-dichloro-1-methoxy-;EINECS 251-655-6;3,5-dichloro anisole;3,5-DICHLOROANISOL;3,5-Dichloroanisole, 98%;SCHEMBL811578;SCHEMBL12015243;1,3-Dichloro-5-methoxy-benzene;SSNXYMVLSOMJLU-UHFFFAOYSA-;DTXSID80187404;1,3-Dichloro-5-methoxybenzene #;AMY28547;MFCD00000589;AKOS005255514;PS-5245;FT-0614550;A821907;J-511299

Chemical Property of 3,5-Dichloroanisole

Chemical Property:

• Appearance/Colour: Whitetoyellowcrystalpowde
• Vapor Pressure: 0.142mmHg at 25°C
• Melting Point: 39-41 °C (dec.)(lit.)
• Refractive Index: 1.534
• Boiling Point: 223.6 °C at 760 mmHg
• Flash Point: 106.1 °C
• PSA: 9.23000
• Density: 1.289g/cm³
• LogP: 3.00200
• Storage Temp.: Refrigerator
• Solubility.: Chloroform, Ethyl Acetate (Slightly), Methanol (Slightly)
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 175.9795702
• Heavy Atom Count: 10
• Complexity: 97.8

Purity/Quality:

99% ^*data from raw suppliers

3,5-Dichloroanisole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 36/37/38-20/22
• Safety Statements: 22-24/25-37/39-26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Halogenated Anisoles
• Canonical SMILES: COC1=CC(=CC(=C1)Cl)Cl
• Uses: 3,5-Dichloroanisole, is a chlorinated anisole derivative, possessing possible antibacterial activity. It is also an organic building block that can be used for the synthesis of chlorinated chemical compounds, such as polychlorinated dibenzofurans (PCDD/F).

Technology Process of 3,5-Dichloroanisole

There total 9 articles about 3,5-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: 100.0%

3,5-dichlorophenol (591-35-5) + dimethyl sulfate (77-78-1) → 3,5-dichloroanisole (33719-74-3)

Guidance literature:

With potassium carbonate; In acetone; for 3h;

DOI:10.1016/S0040-4039(00)61354-0

Reference yield: 100.0%

3,5-dichlorophenol (591-35-5) + carbonic acid dimethyl ester (616-38-6) → 3,5-dichloroanisole (33719-74-3)

Guidance literature:

With 1,8-diazabicyclo[5.4.0]undec-7-ene; at 90 ℃; Inert atmosphere;

DOI:10.1055/s-0029-1216810

Reference yield: 98.0%

1,3,5-trichlorobenzene (108-70-3,63697-19-8) + sodium methylate (124-41-4) → 3,5-dichloroanisole (33719-74-3)

Guidance literature:

In dimethyl sulfoxide; at 80 - 90 ℃; Concentration; Reagent/catalyst; Solvent; Temperature; Time;

upstream raw materials:

methanol

1,3,5-trichlorobenzene

sodium methylate

3,5-dichlorophenol

Downstream raw materials:

1-chloro-3-methoxy-benzene

methoxybenzene

(2,6-dichloro-4-methoxyphenyl)(2,4-dichlorophenyl)methanone

2,3,4-trichloro-6-methoxyaniline

Refernces

• 1、 Tietze, Lutz F.,Vock, Carsten A.,Krimmelbein, Ilga K.,Nacke, Linda. "Synthesis of novel structurally simplified estrogen analogues with electron-donating groups in ring A". experimental part. p. 2040 - 2060. Retrieved 2009/12/27.
• 2、 Fountain,Felkerson, Cassie J.,Driskell, Jeremy D.,Lamp, Brian D.. "The α-effect in methyl transfers from S-methyldibenzothiophenium fluoroborate to substituted N-methylbenzohydroxamates". . p. 1810 - 1814. Retrieved 2007/10/03.