(4-Butoxy-2,3-difluorophenyl)boronic acid

Base Information

• Chemical Name: (4-Butoxy-2,3-difluorophenyl)boronic acid
• CAS No.: 156487-12-6
• Molecular Formula: C₁₀H₁₃BF₂O₃
• Molecular Weight: 230.019
• Hs Code.: 2931900090
• European Community (EC) Number: 692-793-0
• DSSTox Substance ID: DTXSID10709239
• Wikidata: Q72513945
• Mol file: 156487-12-6.mol

Synonyms:156487-12-6;(4-Butoxy-2,3-difluorophenyl)boronic acid;4-Butoxy-2,3-difluorophenylboronic acid;Boronic acid, (4-butoxy-2,3-difluorophenyl)-;4-Butoxy-2,3-difluorophenylboronic Acid (contains varying amounts of Anhydride);(4-Butoxy-2,3-difluorophenyl)boronicacid;Boronic acid, B-(4-butoxy-2,3-difluorophenyl)-;SCHEMBL429654;DTXSID10709239;NVIGFYPVKZNNAZ-UHFFFAOYSA-N;AMY18527;MFCD19441186;AKOS015893107;4-Butoxy-2,3-difluorobenzeneboronic Acid;AS-66908;B5174;CS-0152092;FT-0726661;A851896

Chemical Property of (4-Butoxy-2,3-difluorophenyl)boronic acid

Chemical Property:

• Vapor Pressure: 0.001-0.038Pa at 20-50℃
• Boiling Point: 341.7±52.0 °C at 760 mmHg
• PKA: 7.43±0.58(Predicted)
• Flash Point: 160.4±30.7 °C
• PSA: 49.69000
• Density: 1.2±0.1 g/cm³
• LogP: 0.82350
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Solubility.: soluble in Methanol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 230.0925808
• Heavy Atom Count: 16
• Complexity: 207

Purity/Quality:

99.9% ^*data from raw suppliers

4-Butoxy-2,3-difluorophenylboronicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B(C1=C(C(=C(C=C1)OCCCC)F)F)(O)O

Technology Process of (4-Butoxy-2,3-difluorophenyl)boronic acid

There total 2 articles about (4-Butoxy-2,3-difluorophenyl)boronic acid 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: 69.2%

2,3-difluorophenyl butyl ether (136239-66-2) → 4-butoxy-2,3-difluorobenzeneboronic acid (156487-12-6)

Guidance literature:

2,3-difluorophenyl butyl ether; With n-butyllithium; In tetrahydrofuran; hexane; at -74 - -70 ℃; for 2h; Inert atmosphere;

With Trimethyl borate; In tetrahydrofuran; hexane; at -74 - -65 ℃; for 8h;

With hydrogenchloride; water; In tetrahydrofuran; hexane; at 25 ℃;

Reference yield:

Triisopropyl borate (5419-55-6) + 2,3-difluorophenyl butyl ether (136239-66-2) → 4-butoxy-2,3-difluorobenzeneboronic acid (156487-12-6)

Guidance literature:

2,3-difluorophenyl butyl ether; With n-butyllithium; In cyclohexane; at -70 - -60 ℃; for 2h; Inert atmosphere;

Triisopropyl borate; In cyclohexane; at -70 - -60 ℃; for 2h;

upstream raw materials:

2,3-difluorophenyl butyl ether

Triisopropyl borate

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