2-Fluoro-4-methylphenylboronic acid

Base Information

• Chemical Name: 2-Fluoro-4-methylphenylboronic acid
• CAS No.: 170981-26-7
• Molecular Formula: C7H8BFO2
• Molecular Weight: 153.949
• Hs Code.: 29163990
• European Community (EC) Number: 675-651-2
• DSSTox Substance ID: DTXSID60382450
• Nikkaji Number: J3.622.415K
• Wikidata: Q72474771
• ChEMBL ID: CHEMBL1824171
• Mol file: 170981-26-7.mol

Synonyms:Boronicacid, (2-fluoro-4-methylphenyl)- (9CI);(2-Fluoro-4-methylphenyl)boronic acid;4-Methyl-2-fluorophenylboronic acid;

Chemical Property of 2-Fluoro-4-methylphenylboronic acid

Chemical Property:

• Appearance/Colour: Off-white crystalline powder
• Vapor Pressure: 0.00213mmHg at 25°C
• Melting Point: 228-233 °C(lit.)
• Refractive Index: 1.505
• Boiling Point: 277.8 °C at 760 mmHg
• PKA: 8?+-.0.58(Predicted)
• Flash Point: 121.8 °C
• PSA: 40.46000
• Density: 1.2 g/cm³
• LogP: -0.18610
• Storage Temp.: Refrigerator
• Solubility.: 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

2-Fluoro-4-methylphenylboronic acid ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B(C1=C(C=C(C=C1)C)F)(O)O
• Uses: Reactant for:? ;Water-accelerated Pd-Catalyzed Suzuki-Miyaura coupling1 suzuki reaction 2-Fluoro-4-methylphenylboronic Acid (cas# 170981-26-7) is a compound useful in organic synthesis.

Technology Process of 2-Fluoro-4-methylphenylboronic acid

There total 2 articles about 2-Fluoro-4-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: 97.0%

4-bromo-3-fluorotoluene (452-74-4) → 2-fluoro-4-methylphenylboronic acid (170981-26-7)

Guidance literature:

Reference yield:

triethyl borate (150-46-9) + 4-bromo-3-fluorotoluene (452-74-4) + ammonium chloride → 2-fluoro-4-methylphenylboronic acid (170981-26-7)

Guidance literature:

With n-butyllithium; N₂; In tetrahydrofuran; hexane;

Reference yield: 97.0%

2-fluoro-4-methylphenylboronic acid (170981-26-7) + 2,3-dimethyl-2,3-butane diol (76-09-5) → 2-(2-fluoro-4-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (1165936-03-7)

Guidance literature:

With toluene-4-sulfonic acid; In diethyl ether; at 20 ℃; for 18h;

upstream raw materials:

4-bromo-3-fluorotoluene

triethyl borate

Downstream raw materials:

2-tert-butyl-5-(2-fluoro-4-methylphenyl)isothiazol-3(2H)-one 1,1-dioxide

2-tert-butyl-5-(2-fluoro-4-methylphenyl)isothiazolidin-3-one 1,1-dioxide

4-(2-tert-butyl-1,1-dioxido-3-oxoisothiazolidin-5-yl)-3-fluorobenzaldehyde

2-tert-butyl-5-[4-(dibromomethyl)-2-fluorophenyl]isothiazolidin-3-one 1,1-dioxide

Refernces

• 1、 -. "Branched alkoxy-substituted 2-aminopyridines as NOS inhibitors". Example 2. . Retrieved 2008/06/13.
• 2、 -. "6-phenyl-pyridin-2-ylamine derivatives". . . Retrieved 2008/06/13.