3,4-Dichloroanisole

Base Information

• Chemical Name: 3,4-Dichloroanisole
• CAS No.: 36404-30-5
• Molecular Formula: C7H6Cl2O
• Molecular Weight: 177.03
• Hs Code.: 29093090
• European Community (EC) Number: 609-241-1
• DSSTox Substance ID: DTXSID60189926
• Nikkaji Number: J89.110J
• Wikidata: Q83062148
• Mol file: 36404-30-5.mol

Synonyms:3,4-Dichloroanisole;36404-30-5;1,2-DICHLORO-4-METHOXYBENZENE;Benzene, 1,2-dichloro-4-methoxy-;MFCD00070785;3,4-Dichloroanizole;SCHEMBL1145316;4,5-dichlorophenyl methyl ether;SCHEMBL13322153;1,2-Dichloro-4-methoxy-benzene;DTXSID60189926;3,4-Dichlorophenol, methyl ether;Benzene, 1,2-dichloro-4-methoxy;AKOS015890130;AS-59716;SY235910;CS-0150497;FT-0614223;EN300-7057467;A823229;1,2-dichloro-4-methoxy-benzene

Chemical Property of 3,4-Dichloroanisole

Chemical Property:

• Appearance/Colour: Clear light yellow liquid
• Vapor Pressure: 0.125mmHg at 25°C
• Melting Point: -8--7°C
• Refractive Index: 1.556-1.558
• Boiling Point: 226.1 °C at 760 mmHg
• Flash Point: 98.4 °C
• PSA: 9.23000
• Density: 1.289 g/cm³
• LogP: 3.00200
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3.4
• 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:

99% ^*data from raw suppliers

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

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3,4-Dichloroanisole

There total 10 articles about 3,4-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: 85.0%

3,4-dichlorophenol (95-77-2) + carbonic acid dimethyl ester (616-38-6) → 3,4-dichloroanisole (36404-30-5)

Guidance literature:

With dimanganese decacarbonyl; at 180 ℃; for 1h;

DOI:10.1134/S1070428015030070

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: 63.0%

methanol (67-56-1) + 1,2-dichloro-benzene (95-50-1) → 2,3-dichloroanisole (1984-59-4) + 3,4-dichloroanisole (36404-30-5)

Guidance literature:

With Co(dmgBF₂)₂(CH₃CN)₂; 3-cyano-N-methyl-quinolinium perchlorate; In acetonitrile; at 20 ℃; for 5h; Overall yield = 68 %; Sealed tube; Inert atmosphere; Irradiation; High pressure;

DOI:10.1021/acs.orglett.7b00463

upstream raw materials:

3,4-dichlorofluorobenzene

sodium methylate

methoxybenzene

3,4-dichlorophenol

Downstream raw materials:

6-methoxy-2H-benzo[b][1,4]oxazin-3(4H)-one

4-chloromethoxybenzene

methoxybenzene

1-chloro-3-methoxy-benzene

Refernces

• 1、 -. "PROCESS FOR HYDROLYZING 1,2,4-TRIHALOBENZENE". Page/Page column 11. . Retrieved 2015/04/22.
• 2、 Khusnutdinov,Shchadneva,Mayakova, Yu. Yu.. "Methylation of phenol and its derivatives with dimethyl carbonate in the presence of Mn2(CO)10, W(CO)6, and Co2(CO)8". . p. 330 - 334. Retrieved 2015/05/04.