2-(6-Methoxypyridin-2-yl)-6-phenyl-1,3,6,2-dioxazaborocane
Grundinformationen
- CAS
872054-59-6- Standard-SMILES
COc1cccc(B2OCCN(c3ccccc3)CCO2)n1- InChIKey
DBLBCHOTUMUCCT-UHFFFAOYSA-N- Summenformel
- C16H19BN2O3
- Durchschnittliche Molmasse
- 298,1 g/mol
- Monoisotopische Masse
- 298,1488726
Namen und Bezeichner
- Bevorzugter Name
- 2-(6-Methoxypyridin-2-yl)-6-phenyl-1,3,6,2-dioxazaborocane
- IUPAC
- 2-(6-methoxy-2-pyridinyl)-6-phenyl-1,3,6,2-dioxazaborocane
- Englischer Name
- 6-Methoxypyridine-2-boronic acid N-phenyldiethanolamine ester
- Summenformel
- C16H19BN2O3
- Molmasse
- 298.15
Namen und Synonyme
872054-59-62-(6-methoxypyridin-2-yl)-6-phenyl-1,3,6,2-dioxazaborocane6-Methoxypyridine-2-boronic acid N-phenyldiethanolamine ester1133971-47-74H-1,3,6,2-Dioxazaborocine, tetrahydro-2-(6-methoxy-2-pyridinyl)-6-phenyl-6-Methoxypyridine-2-boronic acid N-phenyldiethanolamine ester, 6-Methoxy-2-pyridineboronic acid-N-phenyldiethanolamine ester, 872054-59-6, SureCN1526486, 649155_ALDRICH, ACN-S001309, AKOS015851994SCHEMBL1526486DTXSID90584607DBLBCHOTUMUCCT-UHFFFAOYSA-NAKOS0158519942-{1-oxa-4-azaspiro[4.5]deca-6,8-dien-4-yl}ethan-1-ol6-Methyl-2-pyridineboronic acid N-phenyldiethanolamine ester, 6-Methyl-2-pyridineboronic acid[2,2-(phenylimino)diethanol]ester
Datenbank-Bezeichner
- CAS
872054-59-6- PubChem CID
- 16217865
- DTXSID
DTXSID90584607- EC Number
- 623-992-2
- Nikkaji
- J2.807.437I
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 43,8 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 22
- Formalladung
- 0
- Komplexität
- 319
Physikochemische Eigenschaften
- Schmelzpunkt
- 210 °C · 210 °C (dec.)(lit.)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Danger
H228 (100%): Flammable solid [Danger Flammable solids]
P210, P240, P241, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesFlam. Sol. 1 (100%)
Sicherheitsdaten
- wgk
- 3
- ridadr
- UN 3175 4.1/PG 2
- risk_code
- 36/37/38-67-41-37/38
- hazard_code
- Xi
- safety_code
- 26-36-39
Chemie und Industrie
Anwendungen
VerwendenReactant 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
Anbieter1 Anbieter
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