3-(cyanomethyl)benzeneboronic acid pinacol ester
Product Information
Molecular Formula
C14H18BNO2
Molecular Weight
243.11
Description
3-(Cyanomethyl)benzeneboronic acid pinacol ester is a crucial product used in the biomedical industry. It is commonly employed in the synthesis of various pharmaceutical intermediates and organic compounds due to its unique chemical properties. This versatile compound plays a vital role in the treatment of several diseases and the development of new drugs, making it an indispensable tool in biomedicine.
Synonyms
2-(3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetonitrile; 3-Cyanomethylphenylboronic acid, pinacol ester; 3-(CYANOMETHYL)BENZENEBORONIC ACID PINACOL ESTER; 2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetonitrile; 2-[3-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetonitrile; (3-(CYANOMETHYL)PHENYL)BORONIC ACID PINACOL ESTER; (3-Cyanomethyl)phenylboronic acid pinacol ester
IUPAC Name
2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetonitrile
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)CC#N
InChI
InChI=1S/C14H18BNO2/c1-13(2)14(3,4)18-15(17-13)12-7-5-6-11(10-12)8-9-16/h5-7,10H,8H2,1-4H3
InChI Key
LIWPKYSGWSFPEE-UHFFFAOYSA-N
Flash Point
Not applicable
Computed Properties
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
2
Exact Mass
243.1430590 g/mol
Monoisotopic Mass
243.1430590 g/mol
Topological Polar Surface Area
42.2Ų
Heavy Atom Count
18
Formal Charge
0
Complexity
342
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-2021214366-A1 | Bicyclic heterocycles as fgfr inhibitors | 2020-01-15 |
| WO-2020208139-A1 | Inhibitors of notch signalling pathway and use thereof in treatment of cancers | 2019-04-10 |
| AU-2020271268-A1 | Inhibitors of notch signalling pathway and use thereof in treatment of cancers | 2019-04-10 |
| EP-3953335-A1 | Inhibitors of notch signalling pathway and use thereof in treatment of cancers | 2019-04-10 |
| US-2020299277-A1 | Piperazine derivatives as magl inhibitors | 2017-10-10 |
| EP-3694840-B1 | Piperazine derivatives as magl inhibitors | 2017-10-10 |
| US-10053465-B2 | Pyrrolopyrimidine derivatives as TAM inhibitors | 2015-08-26 |
| US-10519163-B2 | Pyrrolopyrimidine derivatives as TAM inhibitors | 2015-08-26 |
| US-2017057965-A1 | Pyrrolopyrimidine derivatives as tam inhibitors | 2015-08-26 |
| US-2019031663-A1 | Pyrrolopyrimidine derivatives as tam inhibitors | 2015-08-26 |
