CAS 872054-59-6 2-(6-Methoxypyridin-2-yl)-6-phenyl-1,3,6,2-dioxazaborocane (HCID 16217865)

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Basic information

CAS: 872054-59-6
Standard SMILES: COc1cccc(B2OCCN(c3ccccc3)CCO2)n1
InChIKey: DBLBCHOTUMUCCT-UHFFFAOYSA-N
Molecular formula: C16H19BN2O3
Average molar mass: 298.151 g/mol
Monoisotopic mass: 298.14887287

Names & identifiers

Preferred name: 2-(6-Methoxypyridin-2-yl)-6-phenyl-1,3,6,2-dioxazaborocane
IUPAC: 2-(6-Methoxypyridin-2-yl)-6-phenyl-1,3,6,2-dioxazaborocane
English name: 6-Methoxypyridine-2-boronic acid N-phenyldiethanolamine ester
Molecular formula: C16H19BN2O3
Molecular weight: 298.15

Names & synonyms

2-{1-oxa-4-azaspiro[4.5]deca-6,8-dien-4-yl}ethan-1-ol6-Methoxypyridine-2-boronic acid N-phenyldiethanolamine ester6-Methyl-2-pyridineboronic acid N-phenyldiethanolamine ester, 6-Methyl-2-pyridineboronic acid[2,2-(phenylimino)diethanol]ester

Database identifiers

CAS: 872054-59-6
PubChem CID: 16217865
DTXSID: DTXSID90584607
EC Number: 623-992-2
Nikkaji: J2.807.437I

Properties

Physicochemical properties

Melting point: 210 °C · 210 °C (dec.)(lit.)
Symbol(GHS): 2 · GHS02,GHS05,GHS07
Signal word: Danger
Hazard statements: 228 · H228-H315-H318-H335
Precautionary statements: 210 · P210-P261-P280-P305+P351+P338
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38-67-41-37/38
Safety Statements: 26 · 26-36-39
RIDADR: 3175 · UN 3175 4.1/PG 2
WGK Germany: 3 · 3

Safety & regulation

Safety data

wgk: 3
ridadr: UN 3175 4.1/PG 2
risk_code: 36/37/38-67-41-37/38
Signal word: Danger
Symbol(GHS): GHS02,GHS05,GHS07
hazard_code: Xi
safety_code: 26-36-39
Hazard statements: H228-H315-H318-H335
Precautionary statements: P210-P261-P280-P305+P351+P338

Chemistry & industry

Applications · 1 item

UsesReactant 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