tert-Butyl 6-hydroxy-2-azaspiro[3.3]heptane-2-carboxylate
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Grundinformationen
- CAS
1147557-97-8- Standard-SMILES
CC(C)(C)OC(=O)N1CC2(CC(O)C2)C1- InChIKey
UMXXHZDEAZUQKZ-UHFFFAOYSA-N- Summenformel
- C11H19NO3
- Durchschnittliche Molmasse
- 213,27 g/mol
- Monoisotopische Masse
- 213,13649347
Namen und Bezeichner
- Bevorzugter Name
- tert-Butyl 6-hydroxy-2-azaspiro[3.3]heptane-2-carboxylate
- IUPAC
- tert-butyl 6-hydroxy-2-azaspiro[3.3]heptane-2-carboxylate
- Englischer Name
- tert-butyl 6-hydroxy-2-azaspiro[3.3]heptane-2-carboxylate
- Summenformel
- C11H19NO3
- Molmasse
- 213.27
Namen und Synonyme
1147557-97-8TERT-BUTYL 6-HYDROXY-2-AZASPIRO[3.3]HEPTANE-2-CARBOXYLATEDTXSID80680960tert-Butyl 6-hydroxy-2-azaspiro(3.3)heptane-2-carboxylateRefChem:383702DTXCID70631709810-579-96-Hydroxy-2-aza-spiro[3.3]heptane-2-carboxylic acid tert-butyl ester6-Hydroxy-2-azaspiro[3.3]heptane-2-carboxylic acid tert-butyl esterMFCD150714312-AZASPIRO[3.3]HEPTANE-2-CARBOXYLIC ACID, 6-HYDROXY-, 1,1-DIMETHYLETHYL ESTER2-Boc-6-hydroxy-2-aza-spiro[3.3]heptane
Weitere Namen anzeigen
2-Boc-2-Azaspiro[3.3]heptane-OH2-Boc-6-hydroxy-2-aza-spi...6-oxo-2-azaspiro[3.3]heptane-2-carboxylate6-Hydroxy-2-azaspiro[3.3]heptane, N-BOC protected1,1-Dimethylethyl 6-hydroxy-2-azaspiro[3.3]heptane-2-carboxylatetert-butyl 6-hydroxy-2-azaspiro[3.3]heptane-2-carboxylate ISO 9001：2015 REACH
2-Boc-6-hydroxy-2-azaspiro[3.3]heptane2-AZASPorb3175786SCHEMBL6114687Tert-butyl6-hydroxy-2-azaspiro[3.3]heptane-2-carboxylateUMXXHZDEAZUQKZ-UHFFFAOYSA-NCS-D0139TERT-BUTYL 2-HYDROXY-6-AZASPIRO[3.3]HEPTANE-6-CARBOXYLATE
Datenbank-Bezeichner
- CAS
1147557-97-8- PubChem CID
- 52987765
- DTXSID
DTXSID80680960- EC Number
- 810-579-9
- Nikkaji
- J2.763.726D
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 0,9
- Polarare Oberfläche (TPSA)
- 49,8 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 15
- Formalladung
- 0
- Komplexität
- 268
Physikochemische Eigenschaften
- Schmelzpunkt
- 127 · 127-129℃
- Siedepunkt
- 316.6 · 316.6±42.0 °C(Predicted)
- Dichte
- 1.17 · 1.17
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- DMSO (Slightly), Methanol (Slightly)
- pka
- 14.84 · 14.84±0.20(Predicted)
- Aggregatzustand
- Solid
- Farbe
- White to Off-White
- InChI
- InChI=1S/C11H19NO3/c1-10(2,3)15-9(14)12-6-11(7-12)4-8(13)5-11/h8,13H,4-7H2,1-3H3
- InChIKey
- UMXXHZDEAZUQKZ-UHFFFAOYSA-N
- SMILES
- C1C2(CC(O)C2)CN1C(OC(C)(C)C)=O
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
H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (33.3%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (33.3%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (33.3%)；Acute Tox. 4 (33.3%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (33.3%)；STOT SE 3 (100%)
Sicherheitsdaten
- hs_code
- 2934999090
Chemie und Industrie
Anwendungen
Verwendentert-Butyl 6-Hydroxy-2-azaspiro[3.3]heptane-2-carboxylate is a reactant used in the synthesis of pharmaceuticals such as CNS penetrant CXCR2 antagonists for the potential treatment of CNS demyelinating.
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