tert-Butyl 4-formylpiperidine-1-carboxylate
Grundinformationen
- CAS
137076-22-3- Standard-SMILES
CC(C)(C)OC(=O)N1CCC(C=O)CC1- InChIKey
JYUQEWCJWDGCRX-UHFFFAOYSA-N- Summenformel
- C11H19NO3
- Durchschnittliche Molmasse
- 213,27 g/mol
- Monoisotopische Masse
- 213,13649347
Namen und Bezeichner
- Bevorzugter Name
- tert-Butyl 4-formylpiperidine-1-carboxylate
- IUPAC
- tert-butyl 4-formylpiperidine-1-carboxylate
- Englischer Name
- 1-tert-Butoxycarbonyl-4-piperidinecarboxaldehyde
- Summenformel
- C11H19NO3
- Molmasse
- 213.27
Namen und Synonyme
137076-22-3Tert-butyl 4-formylpiperidine-1-carboxylateDTXSID60363885RefChem:383616DTXCID00314932676-311-61-Boc-4-piperidinecarboxaldehydeN-Boc-4-Formylpiperidine1-Boc-4-formylpiperidine1-Boc-piperidine-4-carboxaldehyde1-tert-Butoxycarbonyl-4-piperidinecarboxaldehydeN-Boc-4-piperidinecarboxaldehyde
Weitere Namen anzeigen
1-Bocpiperidine-4-carbaldehydeN-BOC-4-piperidine carboxyaldehydePiperidine-4-carboxaldehyde, N-BOC protected
4-Formylpiperidine-1-carboxylic acid tert-butyl esterMFCD021790191-(tert-Butoxycarbonyl)-4-formylpiperidine4-Formyl-Piperidine-1-Carboxylic Acid Tert-Butyl Ester1-(tert-Butoxycarbonyl)-4-piperidinecarboxaldehydeN-Boc-piperidine-4-carbaldehyde1-N-BOC-4-PIPERIDINECARBOXALDEHYDE1-PIPERIDINECARBOXYLIC ACID, 4-FORMYL-, 1,1-DIMETHYLETHYL ESTER
Datenbank-Bezeichner
- CAS
137076-22-3- PubChem CID
- 1514430
- DTXSID
DTXSID60363885- EC Number
- 676-311-6
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,1
- Polarare Oberfläche (TPSA)
- 46,6 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 15
- Formalladung
- 0
- Komplexität
- 237
Physikochemische Eigenschaften
- Schmelzpunkt
- 34 · 34-40℃
- Siedepunkt
- 295.4 · 295.4±33.0 °C(Predicted)
- Dichte
- 1.114 · 1.114±0.06 g/cm3(Predicted)
- Flammpunkt
- 110 ℃ · >110℃
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- Soluble in methanol.
- pka
- -2.13 · -2.13±0.40(Predicted)
- Aggregatzustand
- Oil
- Farbe
- Clear Yellow
- InChI
- InChI=1S/C11H19NO3/c1-11(2,3)15-10(14)12-6-4-9(8-13)5-7-12/h8-9H,4-7H2,1-3H3
- InChIKey
- JYUQEWCJWDGCRX-UHFFFAOYSA-N
- SMILES
- N1(C(OC(C)(C)C)=O)CCC(C=O)CC1
- CAS Datenbank
- 137076 · 137076-22-3(CAS DataBase Reference)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H302 (86%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 50 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (86%)
Sicherheitsdaten
- wgk
- WGK 3
- ridadr
- UN 3077 9/PG 3
- hs_code
- 29333990
- risk_code
- 36/37/38-50-22
- hazard_code
- Xi,N,Xn
- safety_code
- 26-36/37/39-61
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Acute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Anwendungen
VerwendenAn intermediate for polycyclic indazole derivatives that are ERK inhibitors.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Nachgelagerte Produkte
Zugehörige Reaktionen
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