2-(tert-Butylcarbonylamino)phenylboronic acid
Product Information
Molecular Formula
C11H16BNO3
Molecular Weight
221.06
Description
2-(tert-Butylcarbonylamino)phenylboronic acid is a key reagent in the synthesis of pharmaceutical compounds. It aids in the production of drugs that target a range of diseases, mostly in oncology for cancer treatment by halting cell proliferation.
Synonyms
2-(tert-Butylcarbonylamino)phenylboronic acid; 2-[(2,2-Dimethylpropanoyl)amino]phenylboronic acid; 2-Pivaloylaminobenzene Boronic Acid
IUPAC Name
[2-(2,2-dimethylpropanoylamino)phenyl]boronic acid
SMILES
B(C1=CC=CC=C1NC(=O)C(C)(C)C)(O)O
InChI
InChI=1S/C11H16BNO3/c1-11(2,3)10(14)13-9-7-5-4-6-8(9)12(15)16/h4-7,15-16H,1-3H3,(H,13,14)
InChI Key
MXRAJVMTCAUABO-UHFFFAOYSA-N
Flash Point
Not applicable
Purity
95%
Density
1.13g/cm3
Appearance
White Solid
Application
An intermediate for the synthesis of Norharmane as well as DNA intercalating agents.
Safety Information
Hazards
H319
Precautionary Statement
P305 + P351 + P338
Computed Properties
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
3
Exact Mass
221.1223235 g/mol
Monoisotopic Mass
221.1223235 g/mol
Topological Polar Surface Area
69.6Ų
Heavy Atom Count
16
Formal Charge
0
Complexity
250
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-2019374542-A1 | Kras g12c inhibitors and methods of using the same | 2018-06-12 |
| US-2015157783-A1 | Method to selectively bind and extract phosphate | 2013-12-05 |
| US-2012245124-A1 | TRPV3 Modulators | 2011-03-24 |
| US-9012651-B2 | TRPV3 modulators | 2011-03-24 |
| WO-2012129491-A1 | Trpv3 modulators | 2011-03-24 |
| JP-2012102073-A | (Trifluorovinyl) benzenes and process for producing the same | 2010-09-17 |
| JP-5833392-B2 | (Trifluorovinyl) benzenes and process for producing the same | 2010-09-17 |
| US-2013281324-A1 | Bi-functinal complexes and methods for making and using such complexes | 2010-04-16 |
| EP-2376491-A1 | Pyrrolotriazines as alk and jak2 inhibitors | 2008-12-19 |
| EP-2376491-B1 | Pyrrolotriazines as alk and jak2 inhibitors | 2008-12-19 |
