1-Carbobenzoxy-1,2,3,6-tetrahydro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
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Grundinformationen
- CAS
286961-15-7- Standard-SMILES
CC1(C)OB(C2=CCN(C(=O)OCc3ccccc3)CC2)OC1(C)C- InChIKey
QDSFHRPYZPQWEJ-UHFFFAOYSA-N- Summenformel
- C19H26BNO4
- Durchschnittliche Molmasse
- 343,2 g/mol
- Monoisotopische Masse
- 343,1954885
Namen und Bezeichner
- Bevorzugter Name
- 1-Carbobenzoxy-1,2,3,6-tetrahydro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
- IUPAC
- benzyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
- Englischer Name
- 4-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-3,6-DIHYDRO-2H-PYRIDINE-1-CARBOXYLIC ACID BENZYL ESTER
- Summenformel
- C19H26BNO4
- Molmasse
- 343.23
Namen und Synonyme
1-Carbobenzoxy-1,2,3,6-tetrahydro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridineRefChem:431135854-741-7286961-15-7benzyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5,6-dihydropyridine-1(2H)-carboxylateN-Cbz-1,2,3,6-tetrahydropyridine-4-boronic acid pinacol esterBenzyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate4-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid benzyl esterMFCD11521562benzyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydropyridine-1(2H)-carboxylate1(2H)-Pyridinecarboxylic acid, 3,6-dihydro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, phenylmethyl esterbenzyl 4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine-1-carboxylate
Weitere Namen anzeigen
Benzyl 4-(4,4,5,5-TetramethN-Cbz-1,2,5,6-tetrahydropyridine-4-boronic acid1-Cbz-1,2,3,6-tetrahydropyridine-4-ylboronic acid picol ester
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- Polarare Oberfläche (TPSA)
- 48 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 25
- Formalladung
- 0
- Komplexität
- 510
Physikochemische Eigenschaften
- Schmelzpunkt
- 88 · 88-90℃
- Siedepunkt
- 418.2 · 418.2±55.0 °C(Predicted)
- Dichte
- 1.13 · 1.13
- storage temp.
- -20 °C · Sealed in dry,Store in freezer, under -20°C
- pka
- -1.26 · -1.26±0.40(Predicted)
- Aggregatzustand
- Solid
- Farbe
- Off-white
- InChI
- InChI=1S/C19H26BNO4/c1-18(2)19(3,4)25-20(24-18)16-10-12-21(13-11-16)17(22)23-14-15-8-6-5-7-9-15/h5-10H,11-14H2,1-4H3
- InChIKey
- QDSFHRPYZPQWEJ-UHFFFAOYSA-N
- SMILES
- C1N(C(OCC2=CC=CC=C2)=O)CC=C(B2OC(C)(C)C(C)(C)O2)C1
- CAS Datenbank
- 286961 · 286961-15-7
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 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H413 (33.3%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
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, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 3 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 (66.7%)；Skin Irrit. 2 (66.7%)；Eye Irrit. 2A (66.7%)；STOT SE 3 (66.7%)；Aquatic Chronic 4 (33.3%)
Sicherheitsdaten
- tsca
- No
- hs_code
- 2933399990
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-37
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