4-Carboxy-2-fluorophenylboronic Acid Pinacol Ester
Product Information
Molecular Formula
C13H16FO4B
Molecular Weight
266.07
Description
4-Carboxy-2-fluorophenylboronic Acid Pinacol Ester (CAS# 1050423-87-4) is a useful research chemical.
Synonyms
3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid; 3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid
IUPAC Name
3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C=C(C=C2)C(=O)O)F
InChI
InChI=1S/C13H16BFO4/c1-12(2)13(3,4)19-14(18-12)9-6-5-8(11(16)17)7-10(9)15/h5-7H,1-4H3,(H,16,17)
InChI Key
JSQNZNXVVRPGTD-UHFFFAOYSA-N
Melting Point
199-204 °C
Flash Point
Not applicable
Purity
97 %
LogP
1.82310
Safety Information
Hazards
H315 - H319 - H335
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
1
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
2
Exact Mass
266.1125673 g/mol
Monoisotopic Mass
266.1125673 g/mol
Topological Polar Surface Area
55.8Ų
Heavy Atom Count
19
Formal Charge
0
Complexity
356
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-2021008441-A1 | Btk inhibitor containing 5-azaspiroheptane | 2019-07-12 |
| CN-112209934-A | BTK inhibitors containing azaspiroheptanes | 2019-07-12 |
| CN-113993871-A | BTK inhibitors containing 5-azaspiroheptane | 2019-07-12 |
| WO-2020201041-A2 | Glucose sensitive insulin derivatives | 2019-03-29 |
| TW-202102253-A | Glucose sensitive insulin derivatives | 2019-03-29 |
| TW-I717245-B | Glucose sensitive insulin derivatives | 2019-03-29 |
| AU-2020255195-A1 | Glucose sensitive insulin derivatives | 2019-03-29 |
| TW-202112397-A | Glucose sensitive insulin derivatives | 2019-03-29 |
| CN-113646329-A | Glucose-sensitive insulin derivatives | 2019-03-29 |
| EP-3946363-A2 | Glucose sensitive insulin derivatives | 2019-03-29 |
