2-Methoxy-5-(trifluoromethyl)phenylboronic acid

Base Information

• Chemical Name: 2-Methoxy-5-(trifluoromethyl)phenylboronic acid
• CAS No.: 240139-82-6
• Molecular Formula: C8H8BF3O3
• Molecular Weight: 219.956
• Hs Code.: 2931900090
• DSSTox Substance ID: DTXSID50382207
• Wikidata: Q82173518
• Mol file: 240139-82-6.mol

Synonyms:240139-82-6;2-METHOXY-5-(TRIFLUOROMETHYL)PHENYLBORONIC ACID;2-METHOXY-5-TRIFLUOROMETHYLPHENYLBORONIC ACID;[2-methoxy-5-(trifluoromethyl)phenyl]boronic Acid;2-Methoxy-5-(trifluoromethyl)benzeneboronic acid;(2-Methoxy-5-trifluoromethylphenyl)boronic acid;(2-Methoxy-5-(trifluoromethyl)phenyl)boronic acid;MFCD04039222;5-(TRIFLUOROMETHYL)-2-METHOXYPHENYLBORONIC ACID;SCHEMBL319585;DTXSID50382207;AKOS004116395;AB17317;CS-W014758;AS-17803;FT-0644089;2-methoxy-5-trifluoromethyl-phenylboronic acid;2-methoxy-5-trifluoromethylbenzeneboronic acid;2-methoxy-5-trifluoromethyl-phenyl-boronic acid;W16697;2-methoxy-5-(trifluoromethyl)-phenylboronic acid;EN300-1272544;A817038;[2-methoxy-5-(trifluoromethyl)phenyl] boronic acid;J-516443;[2-(Methyloxy)-5-(trifluoromethyl)phenyl]boronic acid;2-Methoxy-5-trifluoromethylphenylboronic acid, AldrichCPR

Chemical Property of 2-Methoxy-5-(trifluoromethyl)phenylboronic acid

Chemical Property:

• Vapor Pressure: 9.44E-05mmHg at 25°C
• Melting Point: 144-148℃
• Refractive Index: 1.464
• Boiling Point: 325.4 °C at 760 mmHg
• PKA: 7.57±0.58(Predicted)
• Flash Point: 150.6 °C
• PSA: 49.69000
• Density: 1.36 g/cm³
• LogP: 0.39380
• Storage Temp.: Inert atmosphere,Room Temperature
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 220.0518588
• Heavy Atom Count: 15
• Complexity: 210

Purity/Quality:

99% ^*data from raw suppliers

2-Methoxy-5-(trifluoromethyl)phenylboronicAcid ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Methoxy-5-(trifluoromethyl)phenylboronic acid

There total 3 articles about 2-Methoxy-5-(trifluoromethyl)phenylboronic 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: 82.0%

methyl 4-(trifluoromethyl)phenyl ether (402-52-8) → (2-methoxy-5-(trifluoromethyl)phenyl)boronic acid (240139-82-6)

Guidance literature:

methyl 4-(trifluoromethyl)phenyl ether; With n-butyllithium; In tetrahydrofuran; cyclohexane; at -30 ℃;

With Triisopropyl borate; In tetrahydrofuran; cyclohexane; at -70 - 20 ℃;

DOI:10.1021/jm031111m

Reference yield:

NaCl + p-trifluoromethylphenyl bromide (402-43-7) → (2-methoxy-5-(trifluoromethyl)phenyl)boronic acid (240139-82-6)

Guidance literature:

With sodium; In methanol; water;

Reference yield:

2-bromo-1-methoxy-4-(trifluoromethyl)benzene (402-10-8) → (2-methoxy-5-(trifluoromethyl)phenyl)boronic acid (240139-82-6)

Guidance literature:

2-bromo-1-methoxy-4-(trifluoromethyl)benzene; With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; for 1h;

With triisopropyl borate;

With hydrogenchloride; In water; ethyl acetate;

DOI:10.1021/jm400287v

upstream raw materials:

methyl 4-(trifluoromethyl)phenyl ether

p-trifluoromethylphenyl bromide

2-bromo-1-methoxy-4-(trifluoromethyl)benzene

Downstream raw materials:

(S)-2-(1-((5-(2-methoxy-5-(trifluoromethyl)phenyl)-7-((2-(trimethylsilyl)ethoxy)methyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)ethyl)-5-methyl-3-phenylpyrrolo[2,1-f][1,2,4]triazin-4(3H)-one

Refernces

• 1、 Audouze, Karine,Nielsen, Elsebet ?stergaard.,Peters, Dan. "New series of morpholine and 1,4-oxazepane derivatives as dopamine D 4 receptor ligands: Synthesis and 3D-QSAR model". . p. 3089 - 3104. Retrieved 2007/10/03.