4-Fluoro-3-methylphenylboronic Acid
Product Information
Molecular Formula
C7H8FO2B
Molecular Weight
153.95
Description
Reactant for: Preparation of lipophilic-tailed monocationic inhibitors of neuronal nitric oxide synthase; Stereoselective desymmetrizing rhodium-catalyzed allylic arylation; Solvent free catalytic C-H functionalization reactions; Homocoupling reactions; Suzuki-Miyaura cross-coupling and Heck reactions under air.
Synonyms
(4-fluoro-3-methylphenyl)boronic acid; (4-fluoro-3-methylphenyl)boronic acid
IUPAC Name
(4-fluoro-3-methylphenyl)boronic acid
SMILES
B(C1=CC(=C(C=C1)F)C)(O)O
InChI
InChI=1S/C7H8BFO2/c1-5-4-6(8(10)11)2-3-7(5)9/h2-4,10-11H,1H3
InChI Key
JCIJCHSRVPSOML-UHFFFAOYSA-N
Boiling Point
282 °C at 760 mmHg
Melting Point
212-217 °C (lit.)
Flash Point
Not applicable
Purity
≥ 95 %
Density
1.523 g/cm3
LogP
-0.18610
Safety Information
Precautionary Statement
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word
Warning
Computed Properties
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
154.0601378 g/mol
Monoisotopic Mass
154.0601378 g/mol
Topological Polar Surface Area
40.5Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
132
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| CN-113788846-A | Tricyclic thiazolo [5,4-d ] pyrimidone derivative and application thereof | 2021-10-27 |
| CN-113666942-A | Compound, liquid crystal composition and display device | 2021-07-16 |
| CN-113402412-A | (E) Method for synthesizing (beta) -fluoroacrylamide derivative | 2021-06-10 |
| CN-113105374-A | Method for synthesizing alkylamine derivative | 2021-04-14 |
| CN-112851671-A | 4-substituted pyrido [2,3-d ] pyrimidine-7-ketone compound and preparation method and application thereof | 2021-02-08 |
| CN-112939971-A | Coumarin compound and preparation method and application thereof | 2021-02-08 |
| CN-112778090-A | Preparation method of 3, 5-difluorophenol | 2021-01-12 |
| CN-112687878-A | Electrochemical device and electronic device | 2020-12-25 |
| CN-112574216-A | Compound, preparation method thereof and application thereof in preparing anti-cancer drugs | 2020-12-16 |
| CN-112574216-B | Compound, preparation method thereof and application thereof in preparing anti-cancer drugs | 2020-12-16 |
