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3-[4-(tert-butoxycarbonyl)piperazin-1-yl]phenylboronic acid pinacol ester

3-[4-(tert-butoxycarbonyl)piperazin-1-yl]phenylboronic acid pinacol ester

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Molecular Formula:

C21H33BN2O4

Molecular Weight:

388.31

Product Information

Molecular Formula:

C21H33BN2O4

Molecular Weight:

388.31

Description

3-[4-(tert-butoxycarbonyl)piperazin-1-yl]phenylboronic acid pinacol ester is a valuable compound used in the biomedical industry. It demonstrates potential as a pharmaceutical intermediate for developing drugs targeting various diseases like cancer, inflammation, and diabetes. This product's chemical properties make it an essential component for drug discovery and synthesis in the field of biomedicine.

Synonyms

TERT-BUTYL 4-(3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL)PIPERAZINE-1-CARBOXYLATE; 3-[4-(TERT-BUTOXYCARBONYL)PIPERAZIN-1-YL]PHENYLBORONIC ACID PINACOL ESTER; 3-[4-(N-Boc)piperazin-1-yl]phenylboronic acid pinacol ester; tert-butyl 4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperazine-1-carboxylate; 3-(4-Boc-piperazino)phenylboronic Acid Pinacol Ester; 3-(4-boc-piperazin-1-yl)phenylboronic acid pinacol ester; 1-Boc-4-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)piperazine

IUPAC Name

tert-butyl 4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperazine-1-carboxylate

Canonical SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)N3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H33BN2O4/c1-19(2,3)26-18(25)24-13-11-23(12-14-24)17-10-8-9-16(15-17)22-27-20(4,5)21(6,7)28-22/h8-10,15H,11-14H2,1-7H3

InChI Key

RJUYJGNYCCEDAH-UHFFFAOYSA-N

Flash Point

Not applicable

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

388.2533377 g/mol

Monoisotopic Mass

388.2533377 g/mol

Topological Polar Surface Area

51.2Å²

Heavy Atom Count

Formal Charge

Complexity

551

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

The molarity calculator equation

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

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The dilution calculator equation

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

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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3-[4-(tert-butoxycarbonyl)piperazin-1-yl]phenylboronic acid pinacol ester

Product Information

Computed Properties

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