(3-(Difluoromethoxy)phenyl)boronic acid

Base Information

• Chemical Name: (3-(Difluoromethoxy)phenyl)boronic acid
• CAS No.: 866607-09-2
• Molecular Formula: C7H7 B F2 O3
• Molecular Weight: 187.939
• Hs Code.: 2931900090
• European Community (EC) Number: 640-474-1
• DSSTox Substance ID: DTXSID70590221
• Wikidata: Q72463348
• Mol file: 866607-09-2.mol

Synonyms:866607-09-2;(3-(Difluoromethoxy)phenyl)boronic acid;3-(Difluoromethoxy)phenylboronic acid;3-(Difluoromethoxy)benzeneboronic acid;[3-(difluoromethoxy)phenyl]boronic acid;3-(DIFLUOROMETHOXY)-BENZENEBORONIC ACID;MFCD08706282;1-Borono-3-(difluoromethoxy)benzene;Boronic acid, [3-(difluoromethoxy)phenyl]-;SCHEMBL8971;B-[3-(DIFLUOROMETHOXY)PHENYL]BORONIC ACID;DTXSID70590221;3-difluoromethoxybenzeneboronic acid;AMY14394;3-difluoromethoxybenzene-boronic acid;AKOS009318223;(3-(Difluoromethoxy)phenyl)boronicacid;AB48717;86607-09-2;AS-43769;SY269089;DB-076703;CS-0098076;EN300-365951;A841762;J-510866

Chemical Property of (3-(Difluoromethoxy)phenyl)boronic acid

Chemical Property:

• Vapor Pressure: 0.000247mmHg at 25°C
• Refractive Index: 1.478
• Boiling Point: 311.1°C at 760 mmHg
• PKA: 7?+-.0.10(Predicted)
• Flash Point: 141.9°C
• PSA: 49.69000
• Density: 1.33g/cm³
• LogP: -0.03220
• Storage Temp.: Room temperature.
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 188.0456306
• Heavy Atom Count: 13
• Complexity: 157

Purity/Quality:

98%min ^*data from raw suppliers

3-(Difluoromethoxy)phenylboronicacid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B(C1=CC(=CC=C1)OC(F)F)(O)O

Technology Process of (3-(Difluoromethoxy)phenyl)boronic acid

There total 1 articles about (3-(Difluoromethoxy)phenyl)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:

bis(pinacol)diborane (73183-34-3) + (3-bromophenyl)difluoromethyl ether (262587-05-3) → (3-(difluoromethoxy)phenyl)boronic acid (866607-09-2)

Guidance literature:

With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; water; potassium acetate; In 1,4-dioxane; at 100 ℃; for 17h; Inert atmosphere;

Reference yield: 90.0%

(3-(difluoromethoxy)phenyl)boronic acid (866607-09-2) + 3-bromo-2-ethoxy-5-methylpyrazine → 3-(3-(difluoromethoxy)phenyl)-2-ethoxy-5-methylpyrazine

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; sodium carbonate; In ethanol; toluene; at 88 ℃; for 1h; Inert atmosphere;

Reference yield: 60.9%

(3-(difluoromethoxy)phenyl)boronic acid (866607-09-2) + perfluorophenyl 1-(4-bromo-5-fluoro-2-methoxyphenyl)-2-oxo-1,2-dihydroquinoline-6-sulfonate → (P)-perfluorophenyl 1-(3'-(difluoromethoxy)-2-fluoro-5-methoxy-[1,1'-biphenyl]-4-yl)-2-oxo-1,2-dihydroquinoline-6-sulfonate

Guidance literature:

With bis(di-tert-?butyl(4-?dimethylaminophenyl)?phosphine)?dichloropalladium(II); caesium carbonate; copper(l) chloride; In N,N-dimethyl-formamide; at 50 ℃; for 1.75h; Inert atmosphere;

upstream raw materials:

bis(pinacol)diborane

(3-bromophenyl)difluoromethyl ether

Downstream raw materials:

6-((5-(3-(difluoromethoxy)phenyl)-3H-[1,2,3]triazolo[4,5-b]pyridin-3-yl)methyl)quinoline

2′-amino-6-(3-(difluoromethoxy)phenyl )-1′,2,2-trimethylspiro[chroman-4,4′-imidazol]-5′(1′H)-one

C₄₃H₅₁F₂N₅O₁₀S

2-(1-(bis(tert-Butoxycarbonyl)amino)isoquinolin-6-ylamino)-2-(3-(difluoromethoxy)phenyl)acetic acid

Refernces