5-Boc-1,4,6,7-tetrahydropyrazolo[4,3-C]pyridine

HCID 10398680

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Grundinformationen

CAS: 230301-11-8
Standard-SMILES: CC(C)(C)OC(=O)N1CCc2[nH]ncc2C1
InChIKey: BHYPERDTLBCHAE-UHFFFAOYSA-N
Summenformel: C11H17N3O2
Durchschnittliche Molmasse: 223,27 g/mol
Monoisotopische Masse: 223,13207678

Überblick

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Namen und Bezeichner

Bevorzugter Name: 5-Boc-1,4,6,7-tetrahydropyrazolo[4,3-C]pyridine
IUPAC: tert-butyl 1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carboxylate
Englischer Name: tert-butyl 6,7-dihydro-1H-pyrazolo[4,3-c]pyridine-5(4H)-carboxylate
Summenformel: C11H17N3O2
Molmasse: 223.27

Namen und Synonyme

5-Boc-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine1,1-dimethylethyl 2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxylate5-BOC-1,4,6,7-TETRAHYDROPYRAZOLO(4,3-C)PYRIDINE1,1-Dimethylethyl 2,4,6,7-tetrahydro-5H-pyrazolo(4,3-c)pyridine-5-carboxylateRefChem:532604810-603-8230301-11-8924869-27-2tert-butyl 6,7-dihydro-1H-pyrazolo[4,3-c]pyridine-5(4H)-carboxylatetert-Butyl 6,7-dihydro-2H-pyrazolo[4,3-c]pyridine-5(4H)-carboxylatetert-Butyl 2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxylate5-BOC-4,5,6,7-TETRAHYDROPYRAZOLO[4,3-C]PYRIDINE

Weitere Namen anzeigen

tert-butyl 1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxylatetert-butyl 67-dihydro-1H-pyrazolo[43-c]pyridine-5(4H)-carboxylate5-Boc-4,5,6,7-Tetrahydropyrazolo[4,3-c]t-Butyl 1H,4H,6H,7H-pyrazolo[4,3-c]pyridine-5-carboxylate5-t-Butoxycarbonyl-1,4,6,7-tetrahydro-pyrazolo[4,3-c]pyridinetert-Butyl 6,7-dihydro-1H-pyrazolo4,3-cpyridin-5(4H)--carboxylate

tert-butyl 1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-5-carboxylateMFCD08059268tert-Butyl 2,4,6,7-tetrahydro-5H-pyrazolo-[4,3-c]pyridine-5-carboxylate5-Boc-1,4,6,7-tetrahydro-pyrazolo[4,3-c]pyridinetert-butyl 1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate5H-Pyrazolo[4,3-c]pyridine-5-carboxylic acid, 1,4,6,7-tetrahydro-, 1,1-dimethylethyl estertert-butyl 2H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-5-carboxylateMFCD08689720

Datenbank-Bezeichner

CAS: 230301-11-8、924869-27-2
PubChem CID: 10398680
DTXSID: DTXSID00945720
EC Number: 810-603-8

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1
Polarare Oberfläche (TPSA): 58,2 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 2
Schwere Atome: 16
Formalladung: 0
Komplexität: 275

Physikochemische Eigenschaften

Siedepunkt: 388 · 388.0±42.0 °C(Predicted)
Dichte: 1.2 · 1.200±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: 14.81 · 14.81±0.20(Predicted)
InChI: InChI=1S/C11H17N3O2/c1-11(2,3)16-10(15)14-5-4-9-8(7-14)6-12-13-9/h6H,4-5,7H2,1-3H3,(H,12,13)
InChIKey: BHYPERDTLBCHAE-UHFFFAOYSA-N
SMILES: C1N(C(OC(C)(C)C)=O)CCC2NN=CC1=2

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.