5-Amino-2-Methylphenylboronic Acid Pinacol Ester
Product Information
Molecular Formula
C13H20NO2B
Molecular Weight
233.11
Description
5-Amino-2-Methylphenylboronic Acid Pinacol Ester (CAS# 882670-69-1) is a useful research chemical.
Synonyms
4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline; 4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
IUPAC Name
4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C=CC(=C2)N)C
InChI
InChI=1S/C13H20BNO2/c1-9-6-7-10(15)8-11(9)14-16-12(2,3)13(4,5)17-14/h6-8H,15H2,1-5H3
InChI Key
HPNBWHDRLCVZFV-UHFFFAOYSA-N
Boiling Point
366.2 °C at 760 mmHg
Melting Point
82-86 °C
Flash Point
Not applicable
Purity
97 %
Density
1.03 g/cm3
Appearance
White to light brown powder or crystals
LogP
2.45760
Safety Information
Hazards
H315 - H319
Precautionary Statement
P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362
Signal Word
Warning
Computed Properties
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
233.1587090 g/mol
Monoisotopic Mass
233.1587090 g/mol
Topological Polar Surface Area
44.5Ų
Heavy Atom Count
17
Formal Charge
0
Complexity
277
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-2022032071-A1 | Kinase inhibitors and uses thereof | 2020-08-07 |
| WO-2021254464-A1 | Substituted quinazoline compound, and preparation method therefor, pharmaceutical composition thereof, and use thereof | 2020-06-19 |
| CN-113429440-A | Prodrug of spiro compound, preparation method and application thereof in medicine | 2020-03-23 |
| CN-113264945-A | Spiro derivative, preparation method and medical application thereof | 2020-02-17 |
| WO-2021081375-A1 | Inhibitors of raf kinases | 2019-10-24 |
| US-11098031-B1 | Inhibitors of RAF kinases | 2019-10-24 |
| US-2021300904-A1 | Inhibitors of raf kinases | 2019-10-24 |
| TW-202128680-A | Inhibitors of raf kinases | 2019-10-24 |
| CN-112574224-A | KRAS G12C inhibitor and application thereof | 2019-09-30 |
| WO-2021063346-A1 | Kras g12c inhibitor and application thereof | 2019-09-30 |
