2,3-Dichloroanisole

Base Information

• Chemical Name: 2,3-Dichloroanisole
• CAS No.: 1984-59-4
• Molecular Formula: C7H6 Cl2 O
• Molecular Weight: 177.03
• Hs Code.: 29093090
• European Community (EC) Number: 217-853-1
• DSSTox Substance ID: DTXSID1062095
• Nikkaji Number: J32.125G
• Wikidata: Q72465415
• Mol file: 1984-59-4.mol

Synonyms:2,3-Dichloroanisole;1984-59-4;1,2-Dichloro-3-methoxybenzene;Benzene, 1,2-dichloro-3-methoxy-;2,3-Dichloromethoxybenzene;1,2-Dichloro-3-methoxy-benzene;Anisole, 2,3-dichloro-;EINECS 217-853-1;MFCD00000545;dichloroanisol;2,3-dichloro-anisol;2,3-dichloro anisole;SCHEMBL78713;DTXSID1062095;SCHEMBL13322150;2,3-Dichloroanisole, >=97%;AMY30578;BCP22747;AKOS015888776;1,2-bis(chloranyl)-3-methoxy-benzene;BCP9000071;s11975;AS-18886;SY036391;CS-0030735;D2306;FT-0609549;EN300-6472620;A813992;W-107670;1,2-Dichloro-3-methoxybenzene pound>>Benzene, 1,2-dichloro-3-methoxy-

Chemical Property of 2,3-Dichloroanisole

Chemical Property:

• Vapor Pressure: 0.144mmHg at 25°C
• Melting Point: 31-33 °C(lit.)
• Refractive Index: 1.5430 (estimate)
• Boiling Point: 115-116°C 12mm
• Flash Point: 113 ºC
• PSA: 9.23000
• Density: 1.289 g/cm³
• LogP: 3.00200
• Storage Temp.: Inert atmosphere,Room Temperature
• Solubility.: Chloroform, Methanol
• Water Solubility.: Soluble in water (86.9 mg/L).
• XLogP3: 2.9
• 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

2,3-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:

Useful:

• Canonical SMILES: COC1=C(C(=CC=C1)Cl)Cl
• Uses: 2,3-Dichloroanisole is a metabolite of pentachlorophenol (P238100) with fungicidal activity. 2,3-Dichloroanisole aling with other found in marine sediments.

Technology Process of 2,3-Dichloroanisole

There total 9 articles about 2,3-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: 99.1%

2,3-dichlorophenol (576-24-9) + dimethyl sulfate (77-78-1) → 2,3-dichloroanisole (1984-59-4)

Guidance literature:

2,3-dichlorophenol; With potassium carbonate; In acetone; for 0.5h;

dimethyl sulfate; In acetone; at 60 ℃; for 3h;

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

Reference yield: 25.0%

sodium methylate (124-41-4) + 1,2,3-trichlorobenzene (87-61-6) → 2,3-dichloroanisole (1984-59-4) + 2,6-dichloroanisole (1984-65-2)

Guidance literature:

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

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

upstream raw materials:

2,3-dichlorophenol

dimethyl sulfate

methanol

sodium methylate

Downstream raw materials:

(2,3-dichloro-4-methoxy-phenyl)-thiophen-2-yl-methanone

dichloro-2,3 methoxy-4 α-bromoacetophenone

1-chloro-3-methoxy-benzene

2-Chloroanisole

Refernces

• 1、 -. "Environmental-protection preparation method for high yielding of 1,2,4-oxadiazole compounds containing alpha,beta-unsaturated ketones". Paragraph 0063; 0064; 0065. . Retrieved 2017/08/30.
• 2、 Soula, Gerard. "Tris(polyoxaalkyl)amines (Trident), a New Class of Solid-Liquid Phase-Transfer Catalysts". . p. 3717 - 3721. Retrieved 2007/10/02.