tert-Butyl 4-(6-aminopyridin-3-yl)piperazine-1-carboxylate

HCID 11737525
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Grundinformationen

CAS
571188-59-5
Standard-SMILES
CC(C)(C)OC(=O)N1CCN(c2ccc(N)nc2)CC1
InChIKey
RMULRXHUNOVPEI-UHFFFAOYSA-N
Summenformel
C14H22N4O2
Durchschnittliche Molmasse
278,35 g/mol
Monoisotopische Masse
278,17427596

Namen und Bezeichner

Bevorzugter Name
tert-Butyl 4-(6-aminopyridin-3-yl)piperazine-1-carboxylate
IUPAC
tert-butyl 4-(6-amino-3-pyridinyl)piperazine-1-carboxylate
Englischer Name
tert-butyl 4-(6-aminopyridin-3-yl)piperazine-1-carboxylate
Summenformel
C14H22N4O2
Molmasse
278.35

Namen und Synonyme

571188-59-5Tert-butyl 4-(6-aminopyridin-3-yl)piperazine-1-carboxylate1-BOC-4-(6-AMINOPYRIDIN-3-YL)PIPERAZINE6Y3BU8W3TCDTXSID10471464EC 695-268-41-Piperazinecarboxylic acid, 4-(6-amino-3-pyridinyl)-, 1,1-dimethylethyl esterRefChem:188191DTXCID20422280695-268-4MFCD11594962tert-butyl 4-(6-amino-3-pyridyl)piperazine-1-carboxylate
Weitere Namen anzeigen
OTAVA-BB4-(6-Aminopyridin-3-yl)piperazine-1-carboxylic acid tert-butyl esterOTAVA-BB 12072291-Boc-4-(6-amino-3-pyridyl)piperazine4-(6-aMinopyridin-3-yl)piperazine-1-carboxylicPOB02PALBOCICLIB4Ribociclib-2
4-(6-Amino-3-pyridyl)-1-Boc-piperazineB4669Palbociclib Impurity 284-(6-Amino-3-pyridyl)piperazine-1-carboxylic Acid tert-Butyl Ester4-(6-amino-pyridin-3-yl)-piperazine-1-carboxyic acid tert-butyl esterPalbociclib Impurity 594-(6-Aminopyridin-3-yl)piperazine-1-carboxylic Acid tert-Butyl Ester; 4-(6-Aminopyridin-3-yl)piperazine-1-carboxylic Acid tert-Butyl Ester; tert-Butyl 4-(6-Amino-3-pyridyl)piperazine-1-carboxylate; tert-Butyl 4-(6-Aminopyridin-3-yl)piperazine-1-carboxylateBCP09472

Datenbank-Bezeichner

CAS
571188-59-5
PubChem CID
11737525
DTXSID
DTXSID10471464
ChEMBL
CHEMBL4534399
UNII
6Y3BU8W3TC
EC Number
695-268-4
Nikkaji
J3.757.220I

Eigenschaften

Berechnete Struktureigenschaften

XLogP
1,3
Polarare Oberfläche (TPSA)
71,7 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
5
Frei drehbare Bindungen
3
Schwere Atome
20

Physikochemische Eigenschaften

Schmelzpunkt
130 · 130-132℃
Siedepunkt
454.1 · 454.1±45.0 °C(Predicted)
Dichte
1.182 · 1.182
Dampfdruck
0 · 0-0Pa at 20-25℃
storage temp.
Keep in dark place,Inert atmosphere,Room temperature
Löslichkeit
DMSO (Slightly), Methanol (Very Slightly)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H301 (11.1%): Toxic if swallowed [Danger Acute toxicity, oral]；H302 (55.6%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (44.4%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (22.2%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H318 (22.2%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (33.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (33.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P272, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 9 reports by companies from 7 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 Information · 1 Eintrag

Status: Active Update: 24-07-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/26707；Status: Active Update: 22-09-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/18360；Status: Active Update: 16-07-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/6898

Hazard Classes and CategoriesAcute Tox. 3 (11.1%)；Acute Tox. 4 (55.6%)；Skin Irrit. 2 (44.4%)；Skin Sens. 1 (22.2%)；Eye Dam. 1 (22.2%)；Eye Irrit. 2A (33.3%)；STOT SE 3 (33.3%)

Regulatorische Informationen

Regulatory Information · 1 Eintrag

Status: Active Update: 24-07-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/26707；Status: Active Update: 22-09-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/18360；Status: Active Update: 16-07-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/6898

Sicherheitsdaten

hs_code
2933599590

Chemie und Industrie

Anwendungen

BeschreibungTert-Butyl 4-(6-aminopyridin-3-yl)piperazine-1-carboxylate is a pharmaceutical intermediate compound that can be used to synthesize the targeted cancer drug Ribociclib for the treatment of ER-positive and HER2-negative breast cancer.

Verwenden4-(6-Amino-3-pyridyl)-1-Boc-piperazine (tert-butyl 4-(6-aminopyridin-3-yl)piperazine-1-carboxylate) is used as an organic chemical synthesis intermediate.

Darstellung

synthetische4- (6-Nitro-pyridin-3-yl)-piperazine-1 -carboxylic acid ie f-butyl ester and Pd/C in ethanol is stirred with an H2 balloon for 3 h. The product tert-butyl 4-(6-aminopyridin-3-yl)piperazine-1-carboxylate is obtained through purification.

Vor- und nachgelagerte Produkte

Anbieter100 Anbieter

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
杭州布朗生物医药科技有限公司15967138206
北京安司莫森技术有限公司010-82954736 13391601435 · [email protected]

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