tert-Butyl 3-((6-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yloxy)methyl)pyrrolidine-1-carboxylate

Product Information

Molecular Formula:
C21H32BClN2O5
Molecular Weight:
438.75
Description
tert-Butyl 3-((6-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yloxy)methyl)pyrrolidine-1-carboxylate is a complex organic compound. It manifests exceptional pharmacological properties specifically directed towards distinct molecular targets, thereby exhibiting an unparalleled efficacy in battling various pathological conditions.
Synonyms
tert-butyl 3-[[6-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl]oxymethyl]pyrrolidine-1-carboxylate; tert-Butyl 3-(((6-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl)oxy)methyl)pyrrolidine-1-carboxylate; tert-Butyl 3-({[6-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl]oxy}methyl)pyrrolidine-1-carboxylate; t-Butyl 3-((6-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yloxy)methyl)pyrrole; tert-butyl 3-((6-chloro-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)pyridin-3-yloxy)methyl)pyrrolidine-1-carboxylate; tert-Butyl 3-((6-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yloxy)methyl)pyrrolidine-1-carboxylate; tert-Butyl3-(((6-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl)oxy)methyl)pyrrolidine-1-carboxylate
IUPAC Name
tert-butyl 3-[[6-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl]oxymethyl]pyrrolidine-1-carboxylate
Canonical SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CN=C2Cl)OCC3CCN(C3)C(=O)OC(C)(C)C
InChI
InChI=1S/C21H32BClN2O5/c1-19(2,3)28-18(26)25-9-8-14(12-25)13-27-15-10-16(17(23)24-11-15)22-29-20(4,5)21(6,7)30-22/h10-11,14H,8-9,12-13H2,1-7H3
InChI Key
AMZFPYJLHWLHGE-UHFFFAOYSA-N
Flash Point
Not applicable

Safety Information

Hazards
H301
Precautionary Statement
P301 + P310

Computed Properties

Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
6
Exact Mass
438.2092800 g/mol
Monoisotopic Mass
438.2092800 g/mol
Topological Polar Surface Area
70.1Ų
Heavy Atom Count
30
Formal Charge
0
Complexity
611
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
1
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
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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