1,2,3,6-Tetrahydropyridine-4-boronic acid, pinacol ester hydrochloride
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Grundinformationen
- CAS
1121057-75-7- Standard-SMILES
CC1(C)OB(C2=CCNCC2)OC1(C)C.Cl- InChIKey
WNMYCAJTXUCHBQ-UHFFFAOYSA-N- Summenformel
- C11H21BClNO2
- Durchschnittliche Molmasse
- 245,55 g/mol
- Monoisotopische Masse
- 245,1353868
Namen und Bezeichner
- Bevorzugter Name
- 1,2,3,6-Tetrahydropyridine-4-boronic acid, pinacol ester hydrochloride
- IUPAC
- 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine;hydrochloride
- Englischer Name
- 1,2,3,6-Tetrahydro-4-(4,4,5,5-tetramethyl-1,3,2- dioxaborolan-2-yl)pyridine hydrochloride
- Summenformel
- C11H21BClNO2
- Molmasse
- 245.55
Namen und Synonyme
1,2,3,6-Tetrahydropyridine-4-boronic acid, pinacol ester hydrochlorideRefChem:410662878-854-61121057-75-74-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine hydrochlorideMFCD115060761,2,3,6-TETRAHYDROPYRIDINE-4-YL-BORONIC ACID PINACOL ESTER HYDROCHLORIDE1,2,3,6-Tetrahydro-4-(4,4,5,5-tetramethyl-1,3,2- dioxaborolan-2-yl)pyridine hydrochloride4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine;hydrochlorideC11H21BClNO21,2,3,6-Tetrahydropyridine-4-boronic acid pinacol ester hydrochloride1,2,3,6-Tetrahydropyridine-4-boronic acid, pinacol ester, hydrochloride
Weitere Namen anzeigen
"1,2,3,6-Tetrahydro-4-(4,4,5,5-tetramethyl-1,3,2-DIOXABOROLAN-2-YL)-1,2,3,6-TETRAHYDROPYRIDINE HYDROCHLORIDE1,2,3,6-Tetrahydropyridine-4-boronic acid, pinacol ester, HCl4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetr...1,2,3,6-Tetrahydropyridine-4-boronic acid pinacol ester hydrochl
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- Polarare Oberfläche (TPSA)
- 30,5 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 16
- Formalladung
- 0
- Komplexität
- 270
Physikochemische Eigenschaften
- storage temp.
- -20 °C · Inert atmosphere,Store in freezer, under -20°C
- Aggregatzustand
- solid
- InChI
- 1S/C11H20BNO2.ClH/c1-10(2)11(3,4)15-12(14-10)9-5-7-13-8-6-9;/h5,13H,6-8H2,1-4H3;1H
- InChIKey
- WNMYCAJTXUCHBQ-UHFFFAOYSA-N
- SMILES
- CC(O1)(C)C(C)(C)OB1C2=CCNCC2.Cl
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]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 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 CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
Sicherheitsdaten
- wgk
- WGK 3
- hs_code
- 2933399990
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Anwendungen
Verwenden1,2,3,6-Tetrahydro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-pyridine is a useful synthetic intermediate. It was used in the synthesis of N-arylheterocycles as MCH antagonists. It can also be used as a reagent to prepare substituted imidazopyridine derivatives and analogs for use as antiviral agents.
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