5-Bromo-2,2-difluoro-1,3-benzodioxole

Base Information

• Chemical Name: 5-Bromo-2,2-difluoro-1,3-benzodioxole
• CAS No.: 33070-32-5
• Molecular Formula: C7H3BrF2O2
• Molecular Weight: 237
• Hs Code.: 2934999090
• European Community (EC) Number: 642-776-9
• DSSTox Substance ID: DTXSID20371244
• Nikkaji Number: J2.002.298A
• Wikidata: Q72454323
• Mol file: 33070-32-5.mol

Synonyms:33070-32-5;5-bromo-2,2-difluoro-1,3-benzodioxole;5-bromo-2,2-difluorobenzodioxole;5-Bromo-2,2-difluorobenzo[d][1,3]dioxole;5-Bromo-2,2-Difluoro-2H-1,3-Benzodioxole;MFCD00236212;1,3-Benzodioxole, 5-bromo-2,2-difluoro-;5-bromo-2,2-difluoro-benzo[1,3]dioxole;4-Bromo-1,2-(difluoromethylenedioxy)benzene;SCHEMBL12046;DTXSID20371244;BCP15764;BBL100895;STL554689;AKOS003612230;AM85729;CS-W001170;PB24651;PS-7636;5-bromo-2,2-difluoro-1,3-dioxaindane;2,2-Difluoro-5-bromo-1,3-benzodioxole;SY009399;5-bromo-2,2-difluoro- 1,3-benzodioxole;5-bromo-2,2-difluoro-1,3-benzodioxolane;A5907;B3781;BB 0300680;FT-0620067;EN300-121705;5-bromo-2,2-difluoro-1,3-benzodioxole, AldrichCPR;Q-101060;Z1269242152;5-Bromo-2,2-difluoro-benzo[1,3]dioxole;5-Bromo-2,2-difluoro-1,3-benzodioxole

Chemical Property of 5-Bromo-2,2-difluoro-1,3-benzodioxole

Chemical Property:

• Vapor Pressure: 0.00187mmHg at 25°C
• Refractive Index: 1.4967
• Boiling Point: 187.937 °C at 760 mmHg
• Flash Point: 79.535 °C
• PSA: 18.46000
• Density: 1.915 g/cm³
• LogP: 2.77060
• Storage Temp.: Room temperature.
• Solubility.: Miscible with hexane.
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 235.92845
• Heavy Atom Count: 12
• Complexity: 188

Purity/Quality:

99% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36-41
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1Br)OC(O2)(F)F
• Uses: 5-Bromo-2,2-difluoro-1,3- benzodioxole is used as a precursor in organic synthesis. It is used to prepare 5-bromo-2,2-difluoro-1,3-benzodioxole-4-carboxylic acid. It serves as an intermediate in active pharmaceutical ingredients, agrochemicals and in dyestuff field.

Technology Process of 5-Bromo-2,2-difluoro-1,3-benzodioxole

There total 8 articles about 5-Bromo-2,2-difluoro-1,3-benzodioxole 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: 80.0%

2,2-difluoro-1,3-benzodioxole (1583-59-1) → 5-bromo-2,2-difluoro-2H-1,3-benzodioxole (33070-32-5)

Guidance literature:

With bromine; In water; at 25 - 85 ℃; for 9h; Reflux;

Reference yield: 79.0%

(6-bromo-2,2-difluoro-1,3-benzodioxol-4-yl)triethylsilane (663934-09-6) → 5-bromo-2,2-difluoro-2H-1,3-benzodioxole (33070-32-5)

Guidance literature:

With B₄NF*3H₂O; In tetrahydrofuran; at 25 ℃; for 0.5h;

DOI:10.1002/ejoc.200300553

Reference yield: 62.0%

→ 5-bromo-2,2-difluoro-2H-1,3-benzodioxole (33070-32-5)

Guidance literature:

upstream raw materials:

(6-bromo-2,2-difluoro-1,3-benzodioxol-4-yl)triethylsilane

2,2-difluoro-1,3-benzodioxole

(2,2-difluoro-1,3-benzodioxol-4-yl)triethylsilane

(7-bromo-2,2-difluoro-1,3-benzodioxol-4-yl)triethylsilane

Downstream raw materials:

(2,2-difluoro-1,3-benzodioxol-5-yl)boronic acid

Refernces

• 1、 Newton, Josiah J.,Brooke, Alan J.,Duhamel, Bastian,Pulfer, Jason M.,Britton, Robert,Friesen, Chadron M.. "Fluorodesulfurization of Thionobenzodioxoles with Silver(I) Fluoride". . p. 13298 - 13305. Retrieved 2020/11/26.
• 2、 -. "PROCESS FOR THE PREPARATION OF DERIVATIVES OF BENZODIOXOLE". Page/Page column 9-10. . Retrieved 2017/04/11.