2-(4-Bromophenyl)-4,4-dimethyl-4,5-dihydrooxazole

HCID 403395CAS 32664-14-5

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Grundinformationen

Standard-SMILES: CC1(C)COC(c2ccc(Br)cc2)=N1
InChIKey: GXWMQSSSRSHOBL-UHFFFAOYSA-N
Summenformel: C11H12BrNO
Durchschnittliche Molmasse: 254,12 g/mol
Monoisotopische Masse: 253,0102261

Namen und Bezeichner

Bevorzugter Name: 2-(4-Bromophenyl)-4,4-dimethyl-4,5-dihydrooxazole
IUPAC: 2-(4-bromophenyl)-4,4-dimethyl-5H-1,3-oxazole
Englischer Name: 2-(4-Bromo-phenyl)-4,4-dimethyl-4,5-dihydro-oxazole
Summenformel: C11H12BrNO
Molmasse: 254.12

Namen und Synonyme

32664-14-52-(4-bromophenyl)-4,4-dimethyl-4,5-dihydrooxazoleRefChem:10611762-(4-Bromophenyl)-4,4-dimethyl-4,5-dihydro-1,3-oxazole2-(4-bromophenyl)-4,4-dimethyl-5H-1,3-oxazole2-(4-BROMO-PHENYL)-4,4-DIMETHYL-4,5-DIHYDRO-OXAZOLEMFCD008083782-(4-BROMOPHENYL)-4,5-DIHYDRO-4,4-DIMETHYLOXAZOLE2-(4-bromophenyl)-4,4-dimethyl-5H-oxazole4,4-dimethyl-2-(4-bromophenyl)-2-oxazolineF2189-00862-(4-Bromophenyl)-4,4-dimethyl-2-oxazoline; 2-(4-Bromophenyl)-4,4-dimethyl-4,5-dihydro-1,3-oxazole; 2-(4-Bromophenyl)-4,4-dimethyl-4,5-dihydrooxazole; 2-(4-Bromophenyl)-4,4-dimethyloxazoline; 2-(4-Bromophenyl)-4,5-dihydro-4,4-dimethyloxazole;2-(p-Bromophenyl)-4,4-dimethyl-2-oxazoline

Weitere Namen anzeigen

2-(4-BrPh)-OxazolineOxazole, 2-(4-bromophenyl)-4,5-dihydro-4,4-dimethyl-

Oxazole, 4,5-dihydro-2-(4-bromophenyl)-4,4-dimethyl-2-(4-bromophenyl)-4,4-dimethyl-2-oxazoline2-(4-bromophenyl)-4,5-dihydro-4,4-dimethyl-oxazoleSCHEMBL1763999Oxazole,2-(4-bromophenyl)-4,5-dihydro-4,4-dimethyl-2-(4-bromophenyl)-4,4-dimethyl4,5-dihydro-1,3-oxazoleDTXSID80328032SMSSF-0018186

Datenbank-Bezeichner

CAS: 32664-14-5
PubChem CID: 403395
DTXSID: DTXSID80328032
Nikkaji: J1.632.242C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,7
Polarare Oberfläche (TPSA): 21,6 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 14
Formalladung: 0
Komplexität: 242

Physikochemische Eigenschaften

storage temp.: Sealed in dry,Room Temperature
Löslichkeit: Chloroform, DCM, Ethyl Acetate
Aggregatzustand: Solid
Farbe: White
InChI: InChI=1S/C11H12BrNO/c1-11(2)7-14-10(13-11)8-3-5-9(12)6-4-8/h3-6H,7H2,1-2H3
InChIKey: GXWMQSSSRSHOBL-UHFFFAOYSA-N
SMILES: O1CC(C)(C)N=C1C1=CC=C(Br)C=C1

Sicherheit und Regulatorisches

Sicherheitsdaten

Alarmwort: Warnung
Gefahrenhinweise: Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302

Chemie und Industrie

Anwendungen

Verwenden4,4-Dimethyl-2-(4-bromophenyl)-2-oxazoline is an potential substituent in the synthesis of new series of potent benzodiazepine γ-secretase inhibitors with potential use in the treatment of Alzheimer’s disease.