5-Bromo-6-chloro-2,2-difluorobenzo[d][1,3]dioxole

Base Information

• Chemical Name: 5-Bromo-6-chloro-2,2-difluorobenzo[d][1,3]dioxole
• CAS No.: 869188-52-3
• Molecular Formula: C₇H₂BrClF₂O₂
• Molecular Weight: 271.445
• Hs Code.: 2932990090
• DSSTox Substance ID: DTXSID40468327
• Nikkaji Number: J2.920.905G
• Wikidata: Q82295492
• Mol file: 869188-52-3.mol

Synonyms:5-Bromo-6-chloro-2,2-difluorobenzo[d][1,3]dioxole;869188-52-3;5-Bromo-6-chloro-2,2-difluoro-1,3-benzodioxole;5-Bromo-6-chloro-2,2-difluorobenzo[d][1,3]dioxole, tech grade;5-bromo-6-chloro-2,2-difluoro-2H-1,3-benzodioxole;SCHEMBL1702342;DTXSID40468327;MFCD09759045;AKOS015835852;SB18430;AS-44170;5-bromo-6-chloro-2,2-difluorobenzodioxole;CS-0456662;A862990

Chemical Property of 5-Bromo-6-chloro-2,2-difluorobenzo[d][1,3]dioxole

Chemical Property:

• PSA: 18.46000
• LogP: 3.42400
• Storage Temp.: Room temperature.
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 269.88948
• Heavy Atom Count: 13
• Complexity: 217

Purity/Quality:

97% ^*data from raw suppliers

5-Bromo-6-chloro-2,2-difluorobenzo[d][1,3]dioxole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C2C(=CC(=C1Cl)Br)OC(O2)(F)F
• Uses: 5-Bromo-6-chloro-2,2-difluorobenzo[d][1,3]dioxole is an intermediate used to prepare aryl and heterocyclic carboxamide compounds as therapeutic modulators of intracellular calcium.

Technology Process of 5-Bromo-6-chloro-2,2-difluorobenzo[d][1,3]dioxole

There total 4 articles about 5-Bromo-6-chloro-2,2-difluorobenzo[d][1,3]dioxole 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: 90.0%

5-chlorobenzo-1,3-dioxole-2-thione (33373-00-1) → 5-bromo-6-chloro-2,2-difluorobenzo[d][1,3]dioxole (869188-52-3)

Guidance literature:

With bromine trifluoride; In CFCl₃; chloroform; at 0 ℃; for 0.0166667h;

DOI:10.1039/c0ob00571a

Reference yield: 88.7%

5-chloro-2,2-difluorobenzo[d][1,3]dioxole → 5-bromo-6-chloro-2,2-difluorobenzo[d][1,3]dioxole (869188-52-3)

Guidance literature:

With bromine; hydrogen fluoride; titanium tetrachloride; at 0 - 20 ℃; for 2.33333h;

Reference yield: 60.0%

5-chlorobenzo-1,3-dioxole-2-thione (33373-00-1) → 5-chloro-2,2-difluorobenzo[d][1,3]dioxole + 5-bromo-6-chloro-2,2-difluorobenzo[d][1,3]dioxole (869188-52-3)

Guidance literature:

With pyridine*BrF₃; at 0 ℃;

DOI:10.1021/ol3000348

upstream raw materials:

5-chlorobenzo-1,3-dioxole-2-thione

4-chloro-1,2-benzenediol

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