Tert-butyl 4-(6-nitropyridin-3-yl)piperazine-1-carboxylate

HCID 11243758CAS 571189-16-7
TeilstruktursucheÄhnliche Strukturen suchen

Grundinformationen

Standard-SMILES
CC(C)(C)OC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1
InChIKey
SUWKOEMQNOBJEQ-UHFFFAOYSA-N
Summenformel
C14H20N4O4
Durchschnittliche Molmasse
308,33 g/mol
Monoisotopische Masse
308,14845513

Namen und Bezeichner

Bevorzugter Name
Tert-butyl 4-(6-nitropyridin-3-yl)piperazine-1-carboxylate
IUPAC
tert-butyl 4-(6-nitro-3-pyridinyl)piperazine-1-carboxylate
Englischer Name
Tert-butyl 4-(6-nitropyridin-3-yl)piperazine-1-carboxylate
Summenformel
C14H20N4O4
Molmasse
308.33

Namen und Synonyme

571189-16-7Tert-butyl 4-(6-nitropyridin-3-yl)piperazine-1-carboxylateDTXSID00459953EC 801-163-8RefChem:893787DTXCID10410772801-163-81-Boc-4-(6-nitro-3-pyridyl)piperazine1-BOC-4-(6-NITROPYRIDIN-3-YL)PIPERAZINEMFCD118492914-(6-Nitro-pyridin-3-yl)-piperazine-1-carboxylic acid tert-butyl esterPalbociclib Impurity 60
Weitere Namen anzeigen
4-(6-Nitro-3-pyridinyl)-1-piperazinecarboxylic acid tert-butyl esterPalbociclib Impurity 1111-Boc-4-(6-nitropyridin-3-yl)piperazime4-(6-Nitro-3-pyridyl)-piperazine-1-carboxylate4-(6-Nitropyridin-3-yl)piperazine, N1-Boc protected4-(6-Nitropyridin-3-yl)piperazine, N1-BOC protected 97%Tert. butyl-4-(6-Nitropyridin-3-yl)piperazino-1-carboxylate
1-Piperazinecarboxylic acid, 4-(6-nitro-3-pyridinyl)-, 1,1-dimethylethyl esterAB91571tert-Butyl 4-(6-nitro-3-pyridyl)piperazine-1-carboxylateAC-31707Tert-butyl4-(6-nitropyridin-3-yl)piperazine-1-carboxylatetert.-Butyl 4-(6-nitro-3-pyridinyl)-1-piperazinecarboxylate4-(6-nitropyridin-3-yl)piperazine-1-carboxylic acid tert-butyl esterAMY1839

Datenbank-Bezeichner

CAS
571189-16-7
PubChem CID
11243758
DTXSID
DTXSID00459953
UNII
V9LH86HL9V
EC Number
801-163-8

Eigenschaften

Berechnete Struktureigenschaften

XLogP
1,8
Polarare Oberfläche (TPSA)
91,5 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
6
Frei drehbare Bindungen
3
Schwere Atome
22

Physikochemische Eigenschaften

Siedepunkt
480.1 · 480.1±45.0 °C(Predicted)
Dichte
1.258 · 1.258
storage temp.
Inert atmosphere,Room Temperature
pka
0.11 · 0.11±0.70(Predicted)
InChI
InChI=1S/C14H20N4O4/c1-14(2,3)22-13(19)17-8-6-16(7-9-17)11-4-5-12(15-10-11)18(20)21/h4-5,10H,6-9H2,1-3H3
InChIKey
SUWKOEMQNOBJEQ-UHFFFAOYSA-N

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (75%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (25%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (25%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (25%): 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, 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 4 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

Regulatory InformationStatus: Active Update: 17-12-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/16025
Hazard Classes and CategoriesAcute Tox. 4 (75%)

Regulatorische Informationen

Regulatory InformationStatus: Active Update: 17-12-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/16025

Sicherheitsdaten

hs_code
2933599590

Chemie und Industrie

Anwendungen · 2 Einträge

BeschreibungTert-butyl 4-(6-nitropyridin-3-yl)piperazine-1-carboxylate is a pharmaceutical intermediate compound that can be used to synthesize the anticancer drug Palbociclib. Palbociclib is used to treat estrogen receptor-positive (ER+) and human epidermal growth factor receptor-negative (HER2-) breast cancer.

Verwendentert-butyl 4-(6-nitropyridin-3-yl)piperazine-1-carboxylate is used in preparation of Heterocyclic compound as cdk-hdac double-channel inhibitor.

Vor- und nachgelagerte Produkte

Anbieter50 Anbieter

济南百隆化学有限公司[email protected] · [email protected]
上海遐瑞医药科技有限公司+86-021-61551413 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
北京安司莫森技术有限公司010-82954736 13391601435 · [email protected]
山东中科泰斗化学有限公司0531-88682301 18595278760 · [email protected]

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