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
Canonical 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
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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