3-(Pyrrolidine-1-carbonyl)phenylboronic acid pinacol ester
Product Information
Molecular Formula
C17H24BNO3
Molecular Weight
301.19
Description
3-(Pyrrolidine-1-carbonyl)phenylboronic acid pinacol ester is a paramount versatile compound in the burgeoning biomedical realm. Its utilization encompasses pioneering pharmaceuticals designed to combat multifarious ailments. Distinctive in its chemical composition, it facilitates precise administration of therapeutics, endowing remarkable efficacy in mitigating neoplastic and inflammatory conditions.
Synonyms
Pyrrolidin-1-yl(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)methanone; 3-(1-Pyrrolidinylcarbonyl)benzeneboronic acid pinacol ester; 3-Pyrrolidinylcarbonylphenylboronic acid, pinacol ester; [3-(Pyrrolidine-1-carbonyl)phenyl]boronic acid pinacol ester; pyrrolidin-1-yl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanone; 3-Pyrrolidinylcarbonylphenylboronic acid pinacol ester; 3-(Pyrrolidine-1-carbonyl)phenylboronic acid pinacol ester; (Pyrrolidin-1-yl)[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanone
IUPAC Name
pyrrolidin-1-yl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanone
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)C(=O)N3CCCC3
InChI
InChI=1S/C17H24BNO3/c1-16(2)17(3,4)22-18(21-16)14-9-7-8-13(12-14)15(20)19-10-5-6-11-19/h7-9,12H,5-6,10-11H2,1-4H3
InChI Key
CLPFNNNIZHMNPT-UHFFFAOYSA-N
Melting Point
92-98 °C
Flash Point
Not applicable
Purity
96%
Computed Properties
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
2
Exact Mass
301.1849238 g/mol
Monoisotopic Mass
301.1849238 g/mol
Topological Polar Surface Area
38.8Ų
Heavy Atom Count
22
Formal Charge
0
Complexity
416
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-2012149693-A1 | Therapeutic compounds | 2009-05-05 |
| US-2015315127-A1 | Therapeutic compounds | 2009-05-05 |
| US-9024071-B2 | Therapeutic compounds | 2009-05-05 |
