4-(4-(Tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl)morpholine

HCID 2760141CAS 656239-38-2

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Grundinformationen

Standard-SMILES: CC1(C)OB(c2ccc(C(=O)N3CCOCC3)cc2)OC1(C)C
InChIKey: ZOPBEWUNCNLYSD-UHFFFAOYSA-N
Summenformel: C17H24BNO4
Durchschnittliche Molmasse: 317,2 g/mol
Monoisotopische Masse: 317,17983865

Namen und Bezeichner

Bevorzugter Name: 4-(4-(Tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl)morpholine
IUPAC: morpholin-4-yl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanone
Englischer Name: 4-(Morpholine)carboxamidophenylboronic acid, pinacol ester
Summenformel: C17H24BNO4
Molmasse: 317.19

Namen und Synonyme

4-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl]morpholine4-(4-(Tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl)morpholineRefChem:513794675-080-9656239-38-2Morpholino(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)methanone4-(Morpholine-4-carbonyl)phenylboronic acid pinacol esterMorpholin-4-yl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanoneMFCD05863913C17H24BNO44-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl]morpholineMorpholin-4-yl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-phenyl]-methanone

Weitere Namen anzeigen

Morpholin-4-yl-[4-(44-(morpholine-4-carbonyl)benzeneboronic acidester4-(MORPHOLINOCARBONYL)PHENYLBORONIC ACID, PINACOL ESTERMorpholino(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)4-(Morpholin-4-ylcarbonyl)phenylboronic acid pinacol ester4-(4-Morpholinylcarbonyl)benzeneboronic acid pinacol ester4-((Morpholin-4-yl)carbonyl)benzeneboronic acid pinacol ester

4-(Morpholine-4-carbonyl)phenylboronicAcidPinacolEster4-(morpholine-4-carbonyl)phenylboronic acid, pinacol ester(4-(morpholine-4-carbonyl)phenyl)boronic acid pinacol ester4-(Morpholine-4-carbonyl)phenylboronic acid pinacol ester, 97%Morpholine, 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl]-SCHEMBL9514974-(Morpholine)carboxamidophenylboronic acid, pinacol esterDTXSID10375039

Datenbank-Bezeichner

CAS: 656239-38-2
PubChem CID: 2760141
DTXSID: DTXSID10375039
EC Number: 675-080-9

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 48 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 2
Schwere Atome: 23
Formalladung: 0
Komplexität: 424

Physikochemische Eigenschaften

Schmelzpunkt: 187 · 187-193°C
Siedepunkt: 468.8 · 468.8±40.0 °C(Predicted)
Dichte: 1.14 · 1.14±0.1 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
Aggregatzustand: solid
pka: -1.61 · -1.61±0.20(Predicted)
InChI: 1S/C17H24BNO4/c1-16(2)17(3,4)23-18(22-16)14-7-5-13(6-8-14)15(20)19-9-11-21-12-10-19/h5-8H,9-12H2,1-4H3
InChIKey: ZOPBEWUNCNLYSD-UHFFFAOYSA-N
SMILES: CC1(C)OB(OC1(C)C)c2ccc(cc2)C(=O)N3CCOCC3

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

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

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.