3-(N-Boc-amino)phenylboronic acid pinacol ester
Product Information
Molecular Formula
C17H26BNO4
Molecular Weight
319.20
Description
3-(N-Boc-amino)phenylboronic acid pinacol ester, a significant compound, serves as a fundamental component in the production of boronic acids. This compound plays a key role in drug development for a variety of diseases, such as specific cancer subtypes, diabetes, and inflammatory diseases.
Synonyms
3-(Boc-amino)phenylboronic acid pinacol ester, tert-Butyl-N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate
IUPAC Name
tert-butyl N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)NC(=O)OC(C)(C)C
InChI
InChI=1S/C17H26BNO4/c1-15(2,3)21-14(20)19-13-10-8-9-12(11-13)18-22-16(4,5)17(6,7)23-18/h8-11H,1-7H3,(H,19,20)
InChI Key
ANQAOGOIWVMGCH-UHFFFAOYSA-N
Melting Point
148-153 °C (lit.)
Flash Point
Not applicable
Purity
97%
Computed Properties
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
4
Exact Mass
319.1954885 g/mol
Monoisotopic Mass
319.1954885 g/mol
Topological Polar Surface Area
56.8Ų
Heavy Atom Count
23
Formal Charge
0
Complexity
428
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-2021262684-A1 | METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION | 2020-06-22 |
| TW-201924723-A | Glucocorticoid receptor agonist and its immunoconjugate | 2017-12-01 |
| US-2019167804-A1 | Glucocorticoid receptor agonist and immunoconjugates thereof | 2017-12-01 |
| BR-112020010691-A2 | drug-anti-cd40 antibody conjugates | 2017-12-01 |
| BR-112020010694-A2 | glucocorticoid receptor agonist and immunoconjugates of the same | 2017-12-01 |
| CN-111417410-A | Glucocorticoid receptor agonists and immunoconjugates thereof | 2017-12-01 |
| CN-111465399-A | anti-CD 40 antibody drug conjugates | 2017-12-01 |
| KR-20200095477-A | Glucocorticoid receptor agonists and immunoconjugates thereof | 2017-12-01 |
| KR-20200095493-A | Anti-CD40 antibody drug conjugate | 2017-12-01 |
| US-10772970-B2 | Glucocorticoid receptor agonist and immunoconjugates thereof | 2017-12-01 |
