N-BoC-5-methoxy-2-indolylboronic acid

Inquiry

Molecular Formula:

C14H18BNO5

Molecular Weight:

291.11

CAS Number:

290331-71-4

Catalog Number:

290331-71-4

Product Information

Molecular Formula:

C14H18BNO5

Molecular Weight:

291.11

Description

Reactant for:• Preparation of dihalogenated pyrazoles via dipolar cycloaddition by palladium-catalyzed cross-coupling processes• Suzuki-Miyaura cross-coupling• Synthesis of the isocryptolepine alkaloid and its related skeletons using a modified Pictet-Spengler reaction

Synonyms

1-BOC-5-METHOXY-1H-INDOLE-2-BORONIC ACID; 1-BOC-5-METHOXY-2-INDOLEBORONIC ACID; 1-BOC-5-METHOXYINDOLE-2-BORONIC ACID; 1-(TERT-BUTOXYCARBONYL)-5-METHOXY-1H-INDOL-2-YLBORONIC ACID; 1-T-BUTOXYCARBONYL-5-METHOXYINDOLE-2-BORONIC ACID; AKOS BRN-0246

IUPAC Name

[5-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid

Canonical SMILES

B(C1=CC2=C(N1C(=O)OC(C)(C)C)C=CC(=C2)OC)(O)O

InChI

InChI=1S/C14H18BNO5/c1-14(2,3)21-13(17)16-11-6-5-10(20-4)7-9(11)8-12(16)15(18)19/h5-8,18-19H,1-4H3

InChI Key

PZLVPMBCKHDVKT-UHFFFAOYSA-N

Boiling Point

475.9°C at 760 mmHg

Melting Point

102-107°C

Flash Point

Not applicable

Purity

96%

Density

1.19 g/cm3

Appearance

White to tan powder, crystals, crystalline powder and/or chunks

Storage

2-8°C

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

291.1278028 g/mol

Monoisotopic Mass

291.1278028 g/mol

Topological Polar Surface Area

80.9Å²

Heavy Atom Count

Formal Charge

Complexity

384

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

Patents

Publication Number	Title	Priority Date
US-2021138092-A1	Selective ligands for tau aggregates	2018-04-11
JP-2017531624-A	mTORC1 inhibitor	2014-09-11
JP-6692798-B2	mTORC1 inhibitor	2014-09-11
US-10117945-B2	mTORC1 inhibitors	2014-09-11
US-10646577-B2	mTORC1 inhibitors	2014-09-11
US-2017246305-A1	mTORC1 INHIBITORS	2014-09-11
US-2019091340-A1	mTORC1 INHIBITORS	2014-09-11
JP-2020125320-A	mTORC1 inhibitor	2014-09-11
US-2021052735-A1	mTORC1 INHIBITORS	2014-09-11
CN-107073066-B	mTORC1 inhibitors	2014-09-11

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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N-BoC-5-methoxy-2-indolylboronic acid

Product Information

Computed Properties

Patents

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