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

Base Information

• Chemical Name: 2-(6-Methoxypyridin-2-yl)-6-phenyl-1,3,6,2-dioxazaborocane
• CAS No.: 872054-59-6
• Molecular Formula: C16H19 B N2 O3
• Molecular Weight: 316.15994
• European Community (EC) Number: 623-992-2
• DSSTox Substance ID: DTXSID90584607
• Nikkaji Number: J2.807.437I
• Wikidata: Q82476288
• Mol file: 872054-59-6.mol

Synonyms:872054-59-6;2-(6-methoxypyridin-2-yl)-6-phenyl-1,3,6,2-dioxazaborocane;6-Methoxypyridine-2-boronic acid N-phenyldiethanolamine ester;1133971-47-7;4H-1,3,6,2-Dioxazaborocine, tetrahydro-2-(6-methoxy-2-pyridinyl)-6-phenyl-;SCHEMBL1526486;DTXSID90584607;DBLBCHOTUMUCCT-UHFFFAOYSA-N;AKOS015851994

Chemical Property of 2-(6-Methoxypyridin-2-yl)-6-phenyl-1,3,6,2-dioxazaborocane

Chemical Property:

• Melting Point: 210 °C (dec.)(lit.)
• PSA: 43.82000
• LogP: 1.40380
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 298.1488726
• Heavy Atom Count: 22
• Complexity: 319

Purity/Quality:

99% ^*data from raw suppliers

6-Methoxypyridine-2-boronic acid N-phenyldiethanolamine ester ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38-67-41-37/38
• Safety Statements: 26-36-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B1(OCCN(CCO1)C2=CC=CC=C2)C3=NC(=CC=C3)OC
• Uses: Reactant for:? ;Preparation of alkylated sulfonamides via alkylation with alcohols catalyzed by Ag/Mo hybrid1? ;Preparation of 7-disubstituted oxyindoles as EP3 receptor antagonists2? ;Preparation of N-substituted sulfonamides via ferrous chloride-catalyzed N-alkylation with benzylic alcohols3? ;Preparation of (alkyl)hydroxybenzimidazoles, via a O- to N-acyl transfer reaction, as intermediates for EP3 receptor antagonists4? ;Preparation of N-arylsulfonyl β-[(aryloxy)indolyl]acrylamides as potent and selective EP3 receptor antagonists5

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