5-Benzyl-2,2,3-trimethylimidazolidin-4-one hydrochloride, (5S)-
Grundinformationen
- CAS
278173-23-2- Standard-SMILES
CN1C(=O)[C@H](Cc2ccccc2)NC1(C)C.Cl- InChIKey
YIYFEXGDFJLJGM-MERQFXBCSA-N- Summenformel
- C13H19ClN2O
- Durchschnittliche Molmasse
- 254,75 g/mol
- Monoisotopische Masse
- 254,1185909
Namen und Bezeichner
- Bevorzugter Name
- 5-Benzyl-2,2,3-trimethylimidazolidin-4-one hydrochloride, (5S)-
- IUPAC
- (5S)-5-benzyl-2,2,3-trimethylimidazolidin-4-one;hydrochloride
- Englischer Name
- (5S)-2 2 3-TRIMETHYL-5-PHENYLMETHYL-4-I&
- Summenformel
- C13H18N2O.ClH
- Molmasse
- 254.759
Namen und Synonyme
278173-23-24-Imidazolidinone, 2,2,3-trimethyl-5-(phenylmethyl)-, hydrochloride (1:1), (5S)-785PBY3X4M5-Benzyl-2,2,3-trimethylimidazolidin-4-one hydrochloride, (5S)-Macmillan's imidazolidinone first generation catalyst hydrochloride(S)-5-Benzyl-2,2,3-trimethylimidazolidin-4-one hydrochloride, (-)-4-Imidazolidinone, 2,2,3-trimethyl-5-(phenylmethyl)-, monohydrochloride, (5S)-RefChem:1072661Macmillan's imidazolidinone catalysts first generation catalyst hydrochloride(5S)-(-)-2,2,3-Trimethyl-5-benzyl-4-imidazolidinone monohydrochloride(5S)-2,2,3-Trimethyl-5-benzyl-4-imidazolidinone hydrochloride(S)-5-benzyl-2,2,3-trimethylimidazolidin-4-one hydrochloride
Weitere Namen anzeigen
(5S)-2 2 3-TRIMETHYL-5-PHENYLMETHYL-4-I&(5S)-2,2,3-Trimethyl-5-benzyl-4-imidazolidinonehydro(5S)-5-benzyl-2,2,3-trimethylimidazolidin-4-one,hydrochloride(5S)-2,2,3-trimethyl-5-phenylmethyl-4-imidazolidinone monohy...(S)-(-)-5-Benzyl-2,2,3-trimethyl-4-imidazolidinone Hydrochloride(5S)-2,2,3-Trimethyl-5-benzyl-4-imidazolidinone Hydrochloride,99%e.e.
MFCD03426983(5S)-5-benzyl-2,2,3-trimethylimidazolidin-4-one hydrochloride(5S)-5-benzyl-2,2,3-trimethylimidazolidin-4-one;hydrochlorideMacmillan's imidazolidinone catalysts first generation catalyst hydrochloride [MI]UNII-785PBY3X4MSCHEMBL1262274DTXSID60431497YIYFEXGDFJLJGM-MERQFXBCSA-N
Datenbank-Bezeichner
- CAS
278173-23-2- PubChem CID
- 9834882
- DTXSID
DTXSID60431497- UNII
- 785PBY3X4M
- EC Number
- 878-912-0
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 32,3 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 17
- Formalladung
- 0
- Komplexität
- 269
Physikochemische Eigenschaften
- Schmelzpunkt
- 157 · 157-161 °C(lit.)
- storage temp.
- Store at room temperature
- Aggregatzustand
- solid
- InChI
- InChI=1/C13H18N2O.ClH/c1-13(2)14-11(12(16)15(13)3)9-10-7-5-4-6-8-10;/h4-8,11,14H,9H2,1-3H3;1H/t11-;/s3
- InChIKey
- YIYFEXGDFJLJGM-XAAIUDFWNA-N
- SMILES
- [C@@H]1(CC2C=CC=CC=2)NC(C)(C)N(C)C1=O.Cl |&1:0,r|
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (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 CategoriesSkin Irrit. 2 (100%)
Sicherheitsdaten
- wgk
- 3
- Speicherklasse
- 13 - Non Combustible Solids
Chemie und Industrie
Anwendungen
VerwendenMetal-free OrganoCatalyst technology for asymmetric catalysis. Catalyzes asymmetric Diels-Alder reactions, 1,3-dipolar additions and pyrrole alkylations in high enantiomeric excess.
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