5-BROMO-2-FLUOROBENZENEBORONIC ACID 98

Base Information

• Chemical Name: 5-BROMO-2-FLUOROBENZENEBORONIC ACID 98
• CAS No.: 112204-57-6
• Molecular Formula: C6H5BBrFO2
• Molecular Weight: 218.818
• Hs Code.: 2931900090
• European Community (EC) Number: 687-900-2
• DSSTox Substance ID: DTXSID10446091
• Wikidata: Q72456386
• Mol file: 112204-57-6.mol

Synonyms:Boronicacid, (5-bromo-2-fluorophenyl)- (9CI);5-Bromo-2-fluorobenzeneboronic acid;5-Bromo-2-fluorophenylboronic acid;

Chemical Property of 5-BROMO-2-FLUOROBENZENEBORONIC ACID 98

Chemical Property:

• Appearance/Colour: off-white solid
• Melting Point: 144-149 °C
• Boiling Point: 324.831 °C at 760 mmHg
• PKA: 7.35±0.58(Predicted)
• Flash Point: 150.252 °C
• PSA: 40.46000
• Density: 1.75 g/cm³
• LogP: 0.26800
• Storage Temp.: Keep Cold
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 217.95500
• Heavy Atom Count: 11
• Complexity: 136

Purity/Quality:

99% ^*data from raw suppliers

5-Bromo-2-fluorophenylboronic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B(C1=C(C=CC(=C1)Br)F)(O)O
• Uses: suzuki reaction

Technology Process of 5-BROMO-2-FLUOROBENZENEBORONIC ACID 98

There total 5 articles about 5-BROMO-2-FLUOROBENZENEBORONIC ACID 98 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: 99.0%

Trimethyl borate (121-43-7,63156-11-6) + 1-Bromo-4-fluorobenzene (460-00-4) → dihydroxy-(5-bromo-2-fluorophenyl)-borane (112204-57-6)

Guidance literature:

With acetic acid; lithium diisopropyl amide; In tetrahydrofuran; diethyl ether; water;

Reference yield: 76.0%

2,2,6,6-tetramethyl-piperidine (768-66-1) + 1-Bromo-4-fluorobenzene (460-00-4) → dihydroxy-(5-bromo-2-fluorophenyl)-borane (112204-57-6)

Guidance literature:

2,2,6,6-tetramethyl-piperidine; 1-Bromo-4-fluorobenzene; With n-butyllithium; In tetrahydrofuran; hexanes; at -78 ℃; for 3h;

With Triisopropyl borate; at -78 ℃; for 0.5h;

With hydrogenchloride; at 20 ℃; for 1h;

Reference yield: 76.0%

Triisopropyl borate (5419-55-6) + 1-Bromo-4-fluorobenzene (460-00-4) → dihydroxy-(5-bromo-2-fluorophenyl)-borane (112204-57-6)

Guidance literature:

1-Bromo-4-fluorobenzene; With 2,2,6,6-tetramethyl-piperidine; n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; for 3.16667h;

Triisopropyl borate; In tetrahydrofuran; hexane; at -78 ℃; for 0.5h;

With hydrogenchloride; In tetrahydrofuran; hexane; water; at -4 - 20 ℃; for 1h;

upstream raw materials:

2,2,6,6-tetramethyl-piperidine

1-Bromo-4-fluorobenzene

Trimethyl borate

1,2,-dibromo-4-fluorobenzene

Downstream raw materials:

5-Bromo-2-fluorophenol