2-Bromo-4-chloroanisole

Base Information

• Chemical Name: 2-Bromo-4-chloroanisole
• CAS No.: 60633-25-2
• Molecular Formula: C7H6BrClO
• Molecular Weight: 221.481
• Hs Code.: 29093090
• European Community (EC) Number: 612-004-5
• DSSTox Substance ID: DTXSID70334788
• Nikkaji Number: J479.920H
• Wikidata: Q72452325
• Mol file: 60633-25-2.mol

Synonyms:2-Bromo-4-chloroanisole;60633-25-2;2-Bromo-4-chloro-1-methoxybenzene;Benzene, 2-bromo-4-chloro-1-methoxy-;2-bromo-4-chloro-1-methoxy-benzene;MFCD00079705;2-bromo4-chloroanisole;4-chloro-2-bromanisole;2-bromo-4-chloro anisole;SCHEMBL929274;3-bromo-4-methoxychlorobenzene;DTXSID70334788;1-Methoxy-2-bromo-4-chlorobenzene;2-bromo-4-chloro-1-methoxy benzene;AC-158;2-bromo-4-chloroanisole, AldrichCPR;2-Bromo-4-chloro-1-methoxybenzene #;AKOS000121084;AM61586;CS-W014730;PS-7849;SY016835;A8448;B3111;FT-0611442;EN300-23993;F10964;5-(4-chlorophenyl)-2-phenyl-2h-pyrazol-3-ylamine;J-508269

Chemical Property of 2-Bromo-4-chloroanisole

Chemical Property:

• Appearance/Colour: Clear colorless to pale yellow liquid
• Vapor Pressure: 0.0651mmHg at 25°C
• Melting Point: 28.6-29.1 °C
• Refractive Index: 1.556
• Boiling Point: 238.5 °C at 760 mmHg
• Flash Point: 98 °C
• PSA: 9.23000
• Density: 1.564 g/cm³
• LogP: 3.11110
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Chloroform (Slightly), Ethyl Acetate (Slightly)
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 219.92906
• Heavy Atom Count: 10
• Complexity: 110

Purity/Quality:

99% ^*data from raw suppliers

2-Bromo-4-chloroanisole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 36/37/38-51-22
• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)Cl)Br
• Uses: 2-Bromo-4-chloroanisole has been used as a reactant in the preparation of naphthyl phenyl ethers as nonnucleoside HIV-1 reverse transcriptase inhibitors.

Technology Process of 2-Bromo-4-chloroanisole

There total 10 articles about 2-Bromo-4-chloroanisole 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%

4-chloromethoxybenzene (623-12-1) → 2-bromo-4-chloroanisole (60633-25-2)

Guidance literature:

With (CH₃)4Br; In liquid sulphur dioxide; at -23 ℃; Rate constant;

DOI:10.1002/hlca.19830660410

Reference yield: 99.0%

2-bromo-4-chlorophenol (695-96-5) + dimethyl sulfate (77-78-1) → 2-bromo-4-chloroanisole (60633-25-2)

Guidance literature:

With sodium hydroxide; tetrabutylammomium bromide; In dichloromethane; at 20 ℃; for 22h;

DOI:10.1021/jm050452s

Reference yield: 98.0%

2-bromo-4-chlorophenol (695-96-5) + dimethyl sulfoxide (67-68-5,8070-53-9) → 2-bromo-4-chloroanisole (60633-25-2)

Guidance literature:

2-bromo-4-chlorophenol; dimethyl sulfoxide; With sodium hydroxide;

for 0.5h; Heating;

DOI:10.1016/S0045-6535(01)00052-2

upstream raw materials:

4-chloromethoxybenzene

2-bromo-4-chlorophenol

dimethyl sulfoxide

dimethyl sulfate

Downstream raw materials:

3-chloro-4-methoxy benzoic acid

5-chloro-2-methoxybenzoic acid

2-bromo-4-chloro-6-nitro-anisole

1-(5'-chloro-2'-methoxybiphenyl-4-yl)ethanone

Refernces

• 1、 Tang, Ren-Jin,Milcent, Thierry,Crousse, Benoit. "Regioselective Halogenation of Arenes and Heterocycles in Hexafluoroisopropanol". . p. 930 - 938. Retrieved 2018/01/28.
• 2、 Mostafa, Mohamed A. B.,Calder, Ewen D. D.,Racys, Daugirdas T.,Sutherland, Andrew. "Intermolecular Aryl C?H Amination through Sequential Iron and Copper Catalysis". supporting information. p. 1044 - 1047. Retrieved 2017/02/05.