1-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidine

Product Information

Molecular Formula:
C16H24BNO2
Molecular Weight:
273.18
Description
1-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidine, an avant-garde intermediate in the expansive realm of organic synthesis, takes center-stage in boosting drug product bioavailability.
Synonyms
1-[4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL]PYRROLIDINE; 4-Pyrrolidinophenylboronic acid, pinacol ester; 4-Pyrrolidinophenylboronic acid pinacol ester; 4-(1-Pyrrolidinyl)benzeneboronic acid pinacol ester; 1-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidine; 1-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolane-2-yl)phenyl]pyrrolidine; Pyrrolidine, 1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-; 1-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidine;
IUPAC Name
1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidine
Canonical SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)N3CCCC3
InChI
InChI=1S/C16H24BNO2/c1-15(2)16(3,4)20-17(19-15)13-7-9-14(10-8-13)18-11-5-6-12-18/h7-10H,5-6,11-12H2,1-4H3
InChI Key
DWJNNJSONWFVBT-UHFFFAOYSA-N
Flash Point
Not applicable

Computed Properties

Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
2
Exact Mass
273.1900092 g/mol
Monoisotopic Mass
273.1900092 g/mol
Topological Polar Surface Area
21.7Ų
Heavy Atom Count
20
Formal Charge
0
Complexity
328
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
CN-113549010-A Preparation and application of compound with AMPK agonistic activity and prodrug thereof 2020-04-26
US-2020308163-A1 Compounds and compositions as modulators of tlr signaling 2019-03-26
CN-114025847-A Compounds and compositions as modulators of TLR signaling 2019-03-26
KR-20220004982-A Compounds and compositions as modulators of TLR signaling 2019-03-26
CN-108774122-B Method for synthesizing diaryl ketone compound by carbonylation taking chloroform as carbonyl source without participation of transition metal 2018-08-10
JP-2019512482-A Inhibitors of WDR5 protein-protein binding 2016-03-01
US-2019112290-A1 Inhibitors of wdr5 protein-protein binding 2016-03-01
EA-038109-B1 INHIBITORS OF WDR5 PROTEIN BINDING WITH PROTEINS 2016-03-01
TW-201629046-A TANK binding kinase inhibitor compound 2014-09-26
US-2016214924-A1 Substituted naphthalene compounds as calcium sensing receptor modulators 2013-08-28
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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