tert-Butyl 3,6-dihydropyridine-1(2H)-carboxylate
Grundinformationen
- CAS
85838-94-4- Standard-SMILES
CC(C)(C)OC(=O)N1CC=CCC1- InChIKey
SHHHRQFHCPINIB-UHFFFAOYSA-N- Summenformel
- C10H17NO2
- Durchschnittliche Molmasse
- 183,25 g/mol
- Monoisotopische Masse
- 183,12592878
Überblick
See also: 1,2,3,6-Tetrahydropyridine, N-BOC protected (annotation moved to).
Namen und Bezeichner
- Bevorzugter Name
- tert-Butyl 3,6-dihydropyridine-1(2H)-carboxylate
- IUPAC
- tert-butyl 3,6-dihydro-2H-pyridine-1-carboxylate
- Englischer Name
- N-BOC-1,2,3,6-TETRAHYDROPYRIDINE
- Summenformel
- C10H17NO2
- Molmasse
- 183.25
Namen und Synonyme
tert-Butyl 3,6-dihydropyridine-1(2H)-carboxylateDTXSID10517997RefChem:1099519DTXCID0046880385838-94-4N-Boc-1,2,3,6-tetrahydropyridinetert-butyl 5,6-dihydropyridine-1(2h)-carboxylatetert-butyl 3,6-dihydro-2H-pyridine-1-carboxylatetert-butyl 1,2,3,6-tetrahydropyridine-1-carboxylateMFCD049722451-Boc-1,2,3,6-tetrahydropyridinen-boc-1,2,5,6-tetrahydropyridine
Weitere Namen anzeigen
N-Boc-1,2,3,6-tetrahydrop...1-Boc-1,2,3,6-tetrahydro-pyridineN-Boc-1,2,3,6-tetrahydropyridine, 97%N-Boc-1,2,3,6-Tetrahydropyridine(WX685410)1,2,3,6-Tetrahydropyridine, N-BOC protectedTert-butyl5,6-dihydropyridine-1(2H)-carboxylate1,2,3,6-Tetrahydropyridine, N-BOC protected 98%
3,6-DIHYDRO-2H-PYRIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER1-tert-butoxycarbonyl-1,2,3,6-tetrahydropyridinetert-Butyl 1,2,3,6-tetrahydro-1-pyridinecarboxylateB4357EN300-134260n-tert-butoxycarbonyl-1,2,3,6-tetrahydropyridineN-(tert-Butoxycarbonyl)-1,2,3,6-tetrahydropyridine1,1-Dimethylethyl 3,6-dihydro-1(2H)-pyridinecarboxylate
Datenbank-Bezeichner
- CAS
85838-94-4- PubChem CID
- 13094787
- DTXSID
DTXSID10517997- Nikkaji
- J1.163.096K
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,8
- Polarare Oberfläche (TPSA)
- 29,5 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 13
- Formalladung
- 0
- Komplexität
- 215
Physikochemische Eigenschaften
- Siedepunkt
- 78 · 78-84℃/5mm
- Dichte
- 1.029 · 1.029
- Brechungsindex
- 1.465 to · 1.4650 to 1.4690
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- Aggregatzustand
- clear liquid
- pka
- -1.41 · -1.41±0.20(Predicted)
- Farbe
- Colorless to Light yellow to Light orange
- Wasserlöslichkeit
- Insoluble in water. Soluble in organic solvents.
- InChI
- InChI=1S/C10H17NO2/c1-10(2,3)13-9(12)11-7-5-4-6-8-11/h4-5H,6-8H2,1-3H3
- InChIKey
- SHHHRQFHCPINIB-UHFFFAOYSA-N
- SMILES
- C1N(C(OC(C)(C)C)=O)CC=CC1
- CAS Datenbank
- 85838 · 85838-94-4
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
Sicherheitsdaten
- wgk
- WGK 3
- ridadr
- UN2811
- hs_code
- 2933399990
- risk_code
- 36/37/38-25
- hazard_code
- Xi,T
- safety_code
- 26-36/37/39-45
- hazard_class
- IRRITANT
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Anwendungen
Verwenden1-Boc-1,2,3,6-tetrahydropyridine is used as pharmaceutical intermediate.
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