4-Fluoro-3-formylphenylboronic acid
Product Information
Molecular Formula
C7H6BFO3
Molecular Weight
167.93
Description
Reactant for: Preparation of arylmethylpyrrolidinylmethanols and amine derivatives via reaction with MIDA, followed by Suzuki reaction with halides or amination with amines; Preparation of N-(biarylsulfonyl) a-amino acids as MMP-12 inhibitors using a genetic algorithm; Preparation of para-substituted formylarylboronic esters for regioselective Suzuki-Miyaura cross-coupling with bromobenzene.
Synonyms
(4-fluoro-3-formylphenyl)boronic acid
IUPAC Name
(4-fluoro-3-formylphenyl)boronic acid
SMILES
B(C1=CC(=C(C=C1)F)C=O)(O)O
InChI
InChI=1S/C7H6BFO3/c9-7-2-1-6(8(11)12)3-5(7)4-10/h1-4,11-12H
InChI Key
YABSTJQEBSKPCG-UHFFFAOYSA-N
Boiling Point
342.9 °C at 760 mmHg
Melting Point
215-220 °C
Flash Point
Not applicable
Purity
≥ 95 %
Density
1.33 g/cm3
Storage
2-8 °C
LogP
-0.68200
Safety Information
Precautionary Statement
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word
Warning
Computed Properties
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
2
Exact Mass
168.0394024 g/mol
Monoisotopic Mass
168.0394024 g/mol
Topological Polar Surface Area
57.5Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
165
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-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-114149423-A | Tetrahydropyridopyrimidine diketone derivative, preparation method and medical application thereof | 2020-09-08 |
| WO-2021249463-A1 | Bicyclic compound and application thereof | 2020-06-11 |
| US-2021077385-A1 | Wet-packed soft hydrogel ocular inserts | 2019-09-18 |
| WO-2021053586-A1 | Wet-packed soft hydrogel ocular inserts | 2019-09-18 |
| WO-2020242245-A1 | Phthalazinone compounds and use thereof | 2019-05-29 |
| CN-113840820-A | Phthalazinone compounds and uses thereof | 2019-05-29 |
| KR-20210137216-A | Phthalazinone compounds and uses thereof | 2019-05-29 |
| WO-2020200918-A1 | Isochromene derivatives as phosphoinositide 3-kinases inhibitors | 2019-04-04 |
