4-Fluoro-2-methylphenylboronic acid

Base Information

• Chemical Name: 4-Fluoro-2-methylphenylboronic acid
• CAS No.: 139911-29-8
• Molecular Formula: C7H8BFO2
• Molecular Weight: 153.949
• Hs Code.: 29163990
• European Community (EC) Number: 642-527-4
• DSSTox Substance ID: DTXSID80370435
• Nikkaji Number: J1.649.052K
• Wikidata: Q72474787
• ChEMBL ID: CHEMBL225804
• Mol file: 139911-29-8.mol

Synonyms:4-Fluoro-2-methylphenylboronic acid;139911-29-8;2-methyl-4-fluorophenylboronic acid;(4-fluoro-2-methylphenyl)boronic acid;4-Fluoro-2-methylbenzeneboronic Acid;MFCD02093072;4-fluoro-2-methylphenyl boronic acid;CHEMBL225804;BORONIC ACID, (4-FLUORO-2-METHYLPHENYL)-;4-Fluoro-2-methylbenzenboronic acid;(4-fluoro-2-methyl-phenyl)boronic Acid;SCHEMBL408067;DTXSID80370435;IQMLIVUHMSIOQP-UHFFFAOYSA-N;2-methyl-4-fluorophenylboronicacid;4-fluoro-2-methyphenylboronic acid;BBL102246;BDBM50370988;STL556045;2-methyl-4-fluoro-phenylboronic acid;2-methyl-4-fluorophenyl boronic acid;4-fluoro-2-methyl phenylboronic acid;4-fluoro-2-methyl-phenylboronic acid;4-fluoro-2-methyl-phenyl boronic acid;4-fluoro-2-methylbenzene boronic acid;AKOS000285055;AB10764;CS-W008943;GS-6453;AM803198;SY007804;A3014;F0666;FT-0601774;EN300-349275;J-515347;Z381540978;4-fluoro-2-methylphenylboronic acid;2-Methyl-4-fluorophenylboronic acid

Chemical Property of 4-Fluoro-2-methylphenylboronic acid

Chemical Property:

• Appearance/Colour: white to off-white powder
• Vapor Pressure: 0.00218mmHg at 25°C
• Melting Point: 191-196 °C(lit.)
• Refractive Index: 1.505
• Boiling Point: 277.423 °C at 760 mmHg
• PKA: 8.75±0.58(Predicted)
• Flash Point: 121.581 °C
• PSA: 40.46000
• Density: 1.203 g/cm³
• LogP: -0.18610
• Storage Temp.: Refrigerator (+4°C)
• Solubility.: Chloroform (Slightly, Sonicated), DMSO (Slightly), Methanol (Slightly)
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 154.0601378
• Heavy Atom Count: 11
• Complexity: 132

Purity/Quality:

99% ^*data from raw suppliers

4-Fluoro-2-methylphenylboronic Acid (contains varying amounts of Anhydride) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 37/39-26-36/37/39-27

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-Fluoro-2-methylphenylboronic acid

There total 5 articles about 4-Fluoro-2-methylphenylboronic 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: 61.5%

Triisopropyl borate (5419-55-6) + 2-Bromo-5-fluorotoluene (452-63-1) → 4-fluoro-2-methylphenylboronic acid (139911-29-8)

Guidance literature:

2-Bromo-5-fluorotoluene; With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; for 1h;

Triisopropyl borate; In tetrahydrofuran; hexane; for 1h;

Reference yield: 52.0%

Triisopropyl borate (5419-55-6) + 2-Bromo-5-fluorotoluene (452-63-1) + water (7732-18-5) + sodium hydroxide (1310-73-2) → 4-fluoro-2-methylphenylboronic acid (139911-29-8)

Guidance literature:

Triisopropyl borate; 2-Bromo-5-fluorotoluene; With n-butyllithium; In tetrahydrofuran; at -78 ℃;

water; sodium hydroxide; In tetrahydrofuran;

Reference yield:

Trimethyl borate (121-43-7,63156-11-6) + 2-Bromo-5-fluorotoluene (452-63-1) → 4-fluoro-2-methylphenylboronic acid (139911-29-8)

Guidance literature:

With sodium hydroxide; n-butyllithium; In tetrahydrofuran;

upstream raw materials:

Trimethyl borate

2-Bromo-5-fluorotoluene

ethylene dibromide

Triisopropyl borate

Downstream raw materials:

7-(4-fluoro-2-methyl-phenyl)-6-methyl-benzo[1,2,4]triazin-3-ylamine

1-(2,6-dichlorophenyl)-3,4-dihydro-5-(4-fluoro-2-methylphenyl)-7-methoxy-2(1H)-quinolinone

4-(4'-fluoro-2'-methyl-biphenyl-3-sulfonyl)-5-methylsulfanyl-thiophene-2-carboxamidine trifluoroacetate

C₂₂H₁₇F