6-(tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-indol-2-one

HCID 46739162CAS 893441-85-5

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Grundinformationen

Standard-SMILES: CC1(C)OB(c2ccc3c(c2)NC(=O)C3)OC1(C)C
InChIKey: NXJYMGPXHVQNOT-UHFFFAOYSA-N
Summenformel: C14H18BNO3
Durchschnittliche Molmasse: 259,11 g/mol
Monoisotopische Masse: 259,1379736

Namen und Bezeichner

Bevorzugter Name: 6-(tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-indol-2-one
IUPAC: 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroindol-2-one
Englischer Name: 6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)indolin-2-one
Summenformel: C14H18BNO3
Molmasse: 259.11

Namen und Synonyme

6-(tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-indol-2-oneRefChem:539923887-412-1893441-85-56-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)INDOLIN-2-ONEOxindole-6-boronic acid, pinacol esterMFCD118559652-OXOINDOLINE-6-BORONIC ACID PINACOL ESTER6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroindol-2-one6-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-1,3-dihydro-indol-2-one(2-OXOINDOLIN-6-YL)BORONIC ACID PINACOL ESTERDS-15560

Weitere Namen anzeigen

Oxindole-6-boronic6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indol-2-one6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)indolin-2-one - [T26256]2H-Indol-2-one, 1,3-dihydro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-

SY0156416-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl);indolin-2-one6-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1,3-DIHYDRO-2H-INDOL-2-ONEOxindole-6-boronic acid pinacol esterOxindole-6-boronic acid,pinacol esterBB 0261323A861236SCHEMBL392563

Datenbank-Bezeichner

CAS: 893441-85-5
PubChem CID: 46739162
DTXSID: DTXSID80674788
EC Number: 887-412-1

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 47,6 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 19
Formalladung: 0
Komplexität: 380

Physikochemische Eigenschaften

Dichte: 1.16 · 1.16±0.1 g/cm3 (20 ºC 760 Torr)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

Sicherheitsdaten

hs_code: 2933998090

Chemie und Industrie

Anwendungen

Verwenden6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)indolin-2-one is useful for preparation of imidazopyridazines as therapeutic kinase inhibitors.