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6-Methoxypyridine-2-boronic acid N-phenyldiethanolamine ester

6-Methoxypyridine-2-boronic acid N-phenyldiethanolamine ester

Inquiry

Molecular Formula:

C16H19BN2O3

Molecular Weight:

298.14

CAS Number:

872054-59-6

Catalog Number:

872054-59-6

Product Information

Molecular Formula:

C16H19BN2O3

Molecular Weight:

298.14

Description

Reactant for:• Preparation of alkylated sulfonamides via alkylation with alcohols catalyzed by Ag/Mo hybrid• Preparation of 7-disubstituted oxyindoles as EP3 receptor antagonists• Preparation of N-substituted sulfonamides via ferrous chloride-catalyzed N-alkylation with benzylic alcohols• Preparation of (alkyl)hydroxybenzimidazoles, via a O- to N-acyl transfer reaction, as intermediates for EP3 receptor antagonists• Preparation of N-arylsulfonyl β-[(aryloxy)indolyl]acrylamides as potent and selective EP3 receptor antagonists

Synonyms

6-Methoxy-2-pyridineboronic acid-N-phenyldiethanolamine ester

IUPAC Name

2-(6-methoxypyridin-2-yl)-6-phenyl-1,3,6,2-dioxazaborocane

Canonical SMILES

B1(OCCN(CCO1)C2=CC=CC=C2)C3=NC(=CC=C3)OC

InChI

InChI=1S/C16H19BN2O3/c1-20-16-9-5-8-15(18-16)17-21-12-10-19(11-13-22-17)14-6-3-2-4-7-14/h2-9H,10-13H2,1H3

InChI Key

DBLBCHOTUMUCCT-UHFFFAOYSA-N

Melting Point

210 °C (dec.) (lit.)

Appearance

White to off-white powder

Safety Information

Hazards

H228-H315-H317-H318-H335

Precautionary Statement

P210-P261-P264-P280-P305 + P351 + P338 + P310-P370 + P378

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

298.1488726 g/mol

Monoisotopic Mass

298.1488726 g/mol

Topological Polar Surface Area

43.8Å²

Heavy Atom Count

Formal Charge

Complexity

319

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
AU-2009208947-A1	Oxim derivatives as HSP90 inhibitors	2008-02-01
AU-2009208947-B2	Oxim derivatives as HSP90 inhibitors	2008-02-01
CA-2713658-A1	Oxim derivatives as hsp90 inhibitors	2008-02-01
CA-2713658-C	Oxim derivatives as hsp90 inhibitors	2008-02-01
EA-019156-B1	OXIMA DERIVATIVES AS HSP90 INHIBITORS	2008-02-01
EP-2252595-A1	Oxim derivatives as hsp90 inhibitors	2008-02-01
EP-2252595-B1	Oxim derivatives as hsp90 inhibitors	2008-02-01
ES-2475206-T3	Oxime derivatives as HSP90 inhibitors	2008-02-01
JP-2011511003-A	Oxime derivatives as HSP90 inhibitors	2008-02-01
JP-5524084-B2	Oxime derivatives as HSP90 inhibitors	2008-02-01

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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