2-fluoro-5-methoxyphenylboronic acid
Product Information
Molecular Formula
C7H8BFO3
Molecular Weight
169.95
Description
Reactant involved in:• Friedel-Crafts alkylation of hydronaphthalenes• Suzuki-Miyaura cross-coupling reactions• Synthesis of 9,10-diarylanthracenes for use as molecular switches• Cross-coupling with carbazolyl or aryl halides
Synonyms
Boronic acid, (2-fluoro-5-methoxyphenyl)- (9CI); 2-Fluoro-5-methoxyphenylboronic acid
IUPAC Name
(2-fluoro-5-methoxyphenyl)boronic acid
SMILES
B(C1=C(C=CC(=C1)OC)F)(O)O
InChI
InChI=1S/C7H8BFO3/c1-12-5-2-3-7(9)6(4-5)8(10)11/h2-4,10-11H,1H3
InChI Key
IPTZOWYBCLEBOE-UHFFFAOYSA-N
Boiling Point
333.1°C at 760 mmHg
Melting Point
194-196°C
Flash Point
Not applicable
Purity
97%
Density
1.26 g/cm3
Appearance
White to off-white to yellow powder
Computed Properties
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
2
Exact Mass
170.0550524 g/mol
Monoisotopic Mass
170.0550524 g/mol
Topological Polar Surface Area
49.7Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
145
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 |
|---|---|---|
| WO-2022053823-A1 | Substituted pyrimidine derivatives as nicotinic acetylcholinesterase receptor alpha 6 modulator | 2020-09-11 |
| CN-111961073-A | Continuous synthesis method of arylboronic acid | 2020-09-08 |
| CN-114075195-A | Pyrimidone derivatives and their use in medicine | 2020-08-21 |
| WO-2022037560-A1 | Pyrimidone derivative and application thereof in drug | 2020-08-21 |
| WO-2022028317-A1 | Antidiabetic compounds and compositions | 2020-08-05 |
| WO-2021174046-A1 | Gpr40 agonists | 2020-02-28 |
| WO-2021174048-A1 | Gpr40 agonists | 2020-02-28 |
| WO-2020242943-A1 | Gpr40 agonists | 2019-05-29 |
| US-2019343838-A1 | Kras g12c inhibitors and methods of using the same | 2018-05-04 |
| US-11090304-B2 | KRAS G12C inhibitors and methods of using the same | 2018-05-04 |
