Benzyl (3-oxocyclohexyl)carbamate
Grundinformationen
- CAS
320590-29-2- Standard-SMILES
O=C1CCCC(NC(=O)OCc2ccccc2)C1- InChIKey
NDTIOGCPRWWFJC-UHFFFAOYSA-N- Summenformel
- C14H17NO3
- Durchschnittliche Molmasse
- 247,29 g/mol
- Monoisotopische Masse
- 247,1208434
Namen und Bezeichner
- Bevorzugter Name
- Benzyl (3-oxocyclohexyl)carbamate
- IUPAC
- benzyl N-(3-oxocyclohexyl)carbamate
- Englischer Name
- 3-N-CBZ-AMINO-CYCLOHEXANONE
- Summenformel
- C14H17NO3
- Molmasse
- 247.29
Namen und Synonyme
Benzyl (3-oxocyclohexyl)carbamate320590-29-2benzyl 3-oxocyclohexylcarbamateBenzyl N-(3-oxocyclohexyl)carbamateMFCD080619443-N-CBZ-AMINO-CYCLOHEXANONECarbamic acid, (3-oxocyclohexyl)-, phenylmethyl esterbenzyl(3-oxocyclohexyl)carbamate3-N-CBZ-AMINOCYCLOHEXANONE(3-Oxo-cyclohexyl)-carbamic acid benzyl ester3-(Cbz-amino)cyclohexanoneSCHEMBL2207513
Weitere Namen anzeigen
Benzyl (3-oxocyclohexyl)(3-oxyclohexyl)aminomacetic acidbenzyl esterCarbamic acid, N-(3-oxocyclohexyl)-, phenylmethyl ester
NDTIOGCPRWWFJC-UHFFFAOYSA-NAB6254AKOS016014188CS-W022585DS-6233MB05219DA-06918SY108280
Datenbank-Bezeichner
- CAS
320590-29-2- PubChem CID
- 10171453
- Nikkaji
- J1.591.525K
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,7
- Polarare Oberfläche (TPSA)
- 55,4 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 18
- Formalladung
- 0
- Komplexität
- 297
Physikochemische Eigenschaften
- Siedepunkt
- 427.3 · 427.3±44.0 °C(Predicted)
- Dichte
- 1.17 · 1.17±0.1 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 11.8 · 11.80±0.20(Predicted)
Chemie und Industrie
Anwendungen
Verwenden3-N-Cbz-amino-cyclohexanone is primarily used for experimental/research purposes, such as as a synthetic intermediate or in asymmetric catalytic reactions (such as the anti-Mannich reaction). Its N-Cbz (benzyloxycarbonyl) protecting group is commonly used for amine protection and has the advantages of easy introduction, good stability, and easy selective removal (such as with HBr/HOAc or hydrogenolysis). It is widely used in organic synthesis and peptide chemistry.
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