Tert-butyl 4-hydroxypiperidine-1-carboxylate
Grundinformationen
- CAS
109384-19-2- Standard-SMILES
CC(C)(C)OC(=O)N1CCC(O)CC1- InChIKey
PWQLFIKTGRINFF-UHFFFAOYSA-N- Summenformel
- C10H19NO3
- Durchschnittliche Molmasse
- 201,26 g/mol
- Monoisotopische Masse
- 201,13649347
Namen und Bezeichner
- Bevorzugter Name
- Tert-butyl 4-hydroxypiperidine-1-carboxylate
- IUPAC
- tert-butyl 4-hydroxypiperidine-1-carboxylate
- Englischer Name
- N-BOC-4-Hydroxypiperidine
- Summenformel
- C10H19NO3
- Molmasse
- 201.26
Namen und Synonyme
tert-butyl 4-hydroxypiperidine-1-carboxylate4-Hydroxypiperidine-1-carboxylic acid tert-butyl esterRefChem:894075600-916-6109384-19-2n-boc-4-hydroxypiperidine1-Boc-4-hydroxypiperidine1-Boc-4-piperidinolN-Boc-4-piperidinolMFCD010751741-(tert-Butoxycarbonyl)-4-hydroxypiperidine1-piperidinecarboxylic acid, 4-hydroxy-, 1,1-dimethylethyl ester
Weitere Namen anzeigen
N-(TERT-BUTOXYCARBONYL)-4-PIPERIDINOLBoc-4-piperidinol1-Bocpiperidin-4-olRARECHEM AH CK 0055
Boc-(4-hydroxy)piperidine1-Boc-4-Hydroxy-piperidine1-tert-Butoxycarbonyl-4-hydroxypiperidine1-Boc-piperidin-4-ol1-boc-4-hydroxy piperidine4-hydroxy-piperidine-1-carboxylic acid tert-butyl estertert-Butyl 4-hydroxy-1-piperidinecarboxylate4-HYDROXY-1-(TERT-BUTOXYCARBONYL)PIPERIDINE
Datenbank-Bezeichner
- CAS
109384-19-2- PubChem CID
- 643502
- DTXSID
DTXSID40349203- UNII
- VFT42CH8U4
- EC Number
- 600-916-6
- Nikkaji
- J1.097.794K
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1
- Polarare Oberfläche (TPSA)
- 49,8 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 14
- Formalladung
- 0
- Komplexität
- 202
Experimentelle und physikochemische Eigenschaften
DrugsDEA NFLIS-Drug Category -> Fentanyl and Fentanyl-related
Physikochemische Eigenschaften
- Schmelzpunkt
- 61 · 61-65 °C (lit.)
- Siedepunkt
- 292.3 · 292.3±33.0 °C(Predicted)
- Dichte
- 1.107 · 1.107±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- Löslichkeit
- Chloroform, Ethyl Acetate
- pka
- 14.8 · 14.80±0.20(Predicted)
- Aggregatzustand
- Powder
- Farbe
- White to cream
- BRN
- 7202094 · 7202094
- InChI
- InChI=1S/C10H19NO3/c1-10(2,3)14-9(13)11-6-4-8(12)5-7-11/h8,12H,4-7H2,1-3H3
- InChIKey
- PWQLFIKTGRINFF-UHFFFAOYSA-N
- SMILES
- N1(C(OC(C)(C)C)=O)CCC(O)CC1
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]
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 48 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Sicherheitsdaten
- wgk
- 3
- hs_code
- 29339900
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36-37/39
- hazard_class
- IRRITANT
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Anwendungen
VerwendenN-Boc-4-hydroxypiperidine is a 4-hydroxypyridine with a boc protecting group used in the preparation of neurologically active agents and other pharmaceutical compounds.
Darstellung
synthetischeA mixture of 4-hydroxypiperidine (10.0 g, 98. 9 mmol), aqueous sodiumhydrogen carbonate (150 mL, 1 M), DI-FERT-BUTYL dicarbonate (21. 6 g, 98.9 mmol) and dichloromethane was stirred for 15 h. The phases were separated and the product (N-BOC-4-Hydroxypiperidine) was isolated as an oil in quantitative yield (19.9 g).
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