4-Bromo-2-chloroanisole

Base Information

• Chemical Name: 4-Bromo-2-chloroanisole
• CAS No.: 50638-47-6
• Molecular Formula: C7H6BrClO
• Molecular Weight: 221.481
• Hs Code.: 2909309090
• European Community (EC) Number: 256-672-2
• DSSTox Substance ID: DTXSID70198680
• Nikkaji Number: J261.571A
• Wikidata: Q72517547
• Mol file: 50638-47-6.mol

Synonyms:4-bromo-2-chloro-1-methoxybenzene;4-Bromo-2-chloroanisole;50638-47-6;2-Chloro-4-bromoanisole;MFCD00128076;4-Bromo-2-chloro-1-methoxy-benzene;EINECS 256-672-2;SCHEMBL858370;3-Chloro-4-methoxyphenyl bromide;DTXSID70198680;1-Bromo-3-chloro-4-methoxybenzene;AKOS008905971;AB03565;AM61568;DS-6121;Benzene, 4-bromo-2-chloro-1-methoxy-;AC-25962;SY025038;FT-0617755;EN300-64401;A19891;F15440;J-514626;Methyl(2-chloro-4-bromophenyl) ether

Chemical Property of 4-Bromo-2-chloroanisole

Chemical Property:

• Vapor Pressure: 0.0538mmHg at 25°C
• Melting Point: 68.5-70.5 °C
• Refractive Index: 1.556
• Boiling Point: 242.1 °C at 760 mmHg
• Flash Point: 100.2 °C
• PSA: 9.23000
• Density: 1.564 g/cm³
• LogP: 3.11110
• Storage Temp.: Room temperature.
• 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:

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

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-Bromo-2-chloroanisole

There total 19 articles about 4-Bromo-2-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-bromo-2-chlorophenol (3964-56-5) + methyl iodide (74-88-4) → 4-bromo-2-chloro-1-methoxybenzene (50638-47-6)

Guidance literature:

4-bromo-2-chlorophenol; With caesium carbonate; In N,N-dimethyl-formamide; at 20 ℃;

methyl iodide; In N,N-dimethyl-formamide; at 50 ℃;

Reference yield: 100.0%

2-Chloroanisole (766-51-8) → 4-bromo-2-chloro-1-methoxybenzene (50638-47-6)

Guidance literature:

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

DOI:10.1002/hlca.19830660410

Reference yield: 98.0%

4-bromo-2-chlorophenol (3964-56-5) + dimethyl sulfate (77-78-1) → 4-bromo-2-chloro-1-methoxybenzene (50638-47-6)

Guidance literature:

With potassium carbonate; In acetone; for 5h; Heating;

DOI:10.1016/j.bmcl.2007.09.016

upstream raw materials:

N,N-dichloro-p-toluenesulfonamide

1-bromo-4-methoxy-benzene

2-Chloroanisole

4-bromo-2-chlorophenol

Downstream raw materials:

3-[2-(2,4-dimethoxyphenyl)ethyl]-1-cyclopentylpropan-1-one

3-chloro-4-methoxybenzenethiol

3-Chlor-4-methoxy-zimtsaeure-ethylester

3-Chloro-4-methoxybenzonitrile

Refernces

• 1、 Rogers, David A.,Bensalah, Adam T.,Espinosa, Alvaro Tomas,Hoerr, John L.,Refai, Fares H.,Pitzel, Amy K.,Alvarado, Juan J.,Lamar, Angus A.. "Amplification of Trichloroisocyanuric Acid (TCCA) Reactivity for Chlorination of Arenes and Heteroarenes via Catalytic Organic Dye Activation". supporting information. p. 4229 - 4233. Retrieved 2019/06/17.
• 2、 Granados, Albert,Jia, Zhiyu,del Olmo, Marc,Vallribera, Adelina. "In situ Generation of Hypervalent Iodine Reagents for the Electrophilic Chlorination of Arenes". . p. 2812 - 2818. Retrieved 2019/04/08.