Tert-butyl 3-formylazetidine-1-carboxylate
Grundinformationen
- CAS
177947-96-5- Standard-SMILES
CC(C)(C)OC(=O)N1CC(C=O)C1- InChIKey
JVQOZRRUGOADSU-UHFFFAOYSA-N- Summenformel
- C9H15NO3
- Durchschnittliche Molmasse
- 185,22 g/mol
- Monoisotopische Masse
- 185,10519334
Namen und Bezeichner
- Bevorzugter Name
- Tert-butyl 3-formylazetidine-1-carboxylate
- IUPAC
- tert-butyl 3-formylazetidine-1-carboxylate
- Englischer Name
- 3-Formyl-azetidine-1-carboxylic acid tert-butyl ester
- Summenformel
- C9H15NO3
- Molmasse
- 185.22
Namen und Synonyme
177947-96-5Tert-butyl 3-formylazetidine-1-carboxylateDTXSID00443973RefChem:383396DTXCID00394794689-939-01-Boc-3-azetidinecarboxaldehyde1-Boc-azetidine-3-carboxaldehyde1-Boc-3-FormylazetidineMFCD066561421-Azetidinecarboxylic acid, 3-formyl-, 1,1-dimethylethyl ester1-(tert-butoxycarbonyl)azetidine-3-carboxaldehyde
Weitere Namen anzeigen
N-BOC-3-formylazetidine3-Formyl 1-BOC-N-Azetidine1-Boc-azetidine-3-carboxa...1-Boc-azetidine-3-carboxaldehyde,97%1-Boc-azetidine-3-carboxaldehyde, 97%ert-butyl3-formylazetidine-1-carboxylate
1-Boc-3-Formyl azetidine3-formylazetidine-1-carboxylic acid tert-butyl ester3-Formyl-azetidine-1-carboxylic acid tert-butyl esterAKOS005146136CS-W004759B5160Azetidine-3-carboxaldehyde, N1-BOC protected1-(tert-butoxycarbonyl)-3-azetidinecarboxaldehyde
Datenbank-Bezeichner
- CAS
177947-96-5- PubChem CID
- 10726182
- DTXSID
DTXSID00443973- EC Number
- 689-939-0
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,4
- Polarare Oberfläche (TPSA)
- 46,6 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 13
- Formalladung
- 0
- Komplexität
- 213
Physikochemische Eigenschaften
- Schmelzpunkt
- 80 · 80-83 °C
- Siedepunkt
- 257 ℃ · 257℃
- Dichte
- 1.188 · 1.188
- Brechungsindex
- 1.46 to · 1.4600 to 1.4640
- Flammpunkt
- 109 ℃ · 109℃
- storage temp.
- -20 °C · Inert atmosphere,Store in freezer, under -20°C
- Aggregatzustand
- clear liquid
- pka
- -2.7 · -2.70±0.40(Predicted)
- Farbe
- Colorless to Light yellow
- InChI
- InChI=1S/C9H15NO3/c1-9(2,3)13-8(12)10-4-7(5-10)6-11/h6-7H,4-5H2,1-3H3
- InChIKey
- JVQOZRRUGOADSU-UHFFFAOYSA-N
- SMILES
- N1(C(OC(C)(C)C)=O)CC(C=O)C1
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 46 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Sicherheitsdaten
- hs_code
- 2933998090
- hazard_code
- Xi
Chemie und Industrie
Anwendungen
Verwenden1-Boc-azetidine-3-carboxaldehyde is used as a starting material in organic synthesis. It is also used as an intermediate in pharmaceuticals.
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