4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluorobenzene
Product Information
Molecular Formula
C12H16BFO2
Molecular Weight
222.06
Description
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluorobenzene (CAS# 214360-58-4) is a useful research chemical.
Synonyms
2-(4-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; 2-(4-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
IUPAC Name
2-(4-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)F
InChI
InChI=1S/C12H16BFO2/c1-11(2)12(3,4)16-13(15-11)9-5-7-10(14)8-6-9/h5-8H,1-4H3
InChI Key
SBWKQMCGTSWDPE-UHFFFAOYSA-N
Boiling Point
279.4 °C at 760 mmHg
Flash Point
Not applicable
Purity
98 %
Density
1.05 g/cm3
Appearance
Liquid
LogP
2.12490
Safety Information
Hazards
H302
Precautionary Statement
P264, P270, P301+P312, P330, and P501
Signal Word
Warning
Computed Properties
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
222.1227381 g/mol
Monoisotopic Mass
222.1227381 g/mol
Topological Polar Surface Area
18.5Ų
Heavy Atom Count
16
Formal Charge
0
Complexity
244
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 |
|---|---|---|
| US-2022048909-A1 | Heteroaryl substituted spiropiperidinyl derivatives and pharmaceutical uses thereof | 2020-08-14 |
| WO-2022034529-A1 | Heteroaryl substituted spiropiperidinyl derivatives and pharmaceutical uses thereof | 2020-08-14 |
| WO-2021263278-A1 | Rev-erb agonists for the treatment of th17-mediated inflammatory disorders | 2020-06-23 |
| CN-113549010-A | Preparation and application of compound with AMPK agonistic activity and prodrug thereof | 2020-04-26 |
| KR-102178181-B1 | Novel hydrazone derivatives comprising aryl or heteroaryl group substituted at terminal amine and use thereof | 2020-03-31 |
| KR-20200076655-A | Novel hydrazone derivatives comprising aryl or heteroaryl group substituted at terminal amine and use thereof | 2020-03-31 |
| WO-2021180235-A1 | Inhibitor of enhancer of zeste homologue 2, and use thereof | 2020-03-13 |
| CN-111072721-A | Compound containing bispyrazole ring, intermediate and application thereof | 2019-12-31 |
| CN-111100165-A | Preparation method of compound containing bispyrazole ring and intermediate thereof | 2019-12-31 |
| WO-2021116178-A1 | Pyrazolotriazines | 2019-12-11 |
