tert-Butyl piperazine-1-carboxylate (HCID 143452)

Namen und Bezeichner

Bevorzugter Name: tert-Butyl piperazine-1-carboxylate
IUPAC: tert-butyl piperazine-1-carboxylate
Englischer Name: 1-BOC-Piperazine
Summenformel: C9H18N2O2
Molmasse: 186.25

Namen und Synonyme

1-Boc-piperazine57260-71-6tert-butyl piperazine-1-carboxylateN-Boc-piperazine1-(tert-Butoxycarbonyl)piperazineN-t-Butoxycarbonylpiperazine1-piperazinecarboxylic acid, 1,1-dimethylethyl estert-butyl piperazine-1-carboxylateLBC2X3S28CDTXSID30205884EC 611-489-0RefChem:896481

Weitere Namen anzeigen

BOC-PIPERAZINEN-(TERT-BUTYLOXYCARBONYL)-PIPERAZINETERT-BUTYL TETRAHYDROPYRAZINE-1(2H)-CARBOXYLATEPIBOC

DTXCID60128375611-489-0InChI=1/C9H18N2O2/c1-9(2,3)13-8(12)11-6-4-10-5-7-11/h10H,4-7H2,1-3Htert-Butyl 1-piperazinecarboxylate1-N-Boc-piperazineMFCD00075265piperazine-1-carboxylic acid tert-butyl esterN-tert-butoxycarbonylpiperazine

Datenbank-Bezeichner

CAS: 57260-71-6
PubChem CID: 143452
DTXSID: DTXSID30205884
ChEMBL: CHEMBL6176768
UNII: LBC2X3S28C
EC Number: 611-489-0
Nikkaji: J393.816F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,5
Polarare Oberfläche (TPSA): 41,6 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 2
Schwere Atome: 13
Formalladung: 0
Komplexität: 181

Physikochemische Eigenschaften

Schmelzpunkt: 43 · 43-47 °C(lit.)
Siedepunkt: 98 · 98-100
Dichte: 1.03 · 1.030±0.06 g/cm3(Predicted)
Flammpunkt: 230 °F · >230 °F
storage temp.: 2 · Keep in dark place,Inert atmosphere,2-8°C
Löslichkeit: Soluble in DMSO
pka: 8.45 · 8.45±0.10(Predicted)
Aggregatzustand: Low Melting Crystalline Mass
Farbe: White to light yellow
Wasserlöslichkeit: Soluble in ethyl acetate, methanol and water.
BRN: 879985 · 879985
InChI: 1S/C9H18N2O2/c1-9(2,3)13-8(12)11-6-4-10-5-7-11/h10H,4-7H2,1-3H3
InChIKey: CWXPZXBSDSIRCS-UHFFFAOYSA-N
SMILES: CC(C)(C)OC(=O)N1CCNCC1
CAS Datenbank: 57260 · 57260-71-6(CAS DataBase Reference)
NIST chemische Informationen: 1 · T-butyl 1-piperaziencarboxylate(57260-71-6)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

This chemical does not meet GHS hazard criteria for 14.1% (10 of 71) of reports.

Warning

H315 (76.1%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (73.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (74.6%): 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 71 reports by companies from 15 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 10 of 71 reports by companies.；There are 14 notifications provided by 61 of 71 reports by companies with hazard statement code(s).；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: 27-09-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/17850；Status: Active Update: 18-09-2015 https://echa.europa.eu/registration-dossier/-/registered-dossier/16530；Status: Active Update: 30-04-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/6089

Hazard Classes and CategoriesSkin Irrit. 2 (76.1%)；Eye Irrit. 2 (73.2%)；STOT SE 3 (74.6%)

Regulatorische Informationen

Regulatory Information · 1 Eintrag

Status: Active Update: 27-09-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/17850；Status: Active Update: 18-09-2015 https://echa.europa.eu/registration-dossier/-/registered-dossier/16530；Status: Active Update: 30-04-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/6089

Sicherheitsdaten

F: 3-10-34
wgk: 3
ridadr: 3263
hs_code: 29335995
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
hazard_class: IRRITANT
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden1-Boc-piperazine undergoes Buchwald-Hartwig amination with various aryl halides to form corresponding amine derivatives. It can be used to synthesize monosubstituted piperazine intermediates of many bioactive molecules and piperazine containing drug substances, such as trazodone.

Vor- und nachgelagerte Produkte

Vorgelagerte Rohstoffe

Nachgelagerte Produkte

tert-Butyl 4-(5-formylpyrid-2-yl)piperazine-1-carboxylate Piperazine-1,4-dicarboxylic acid tert-butyl ester methyl ester 1-(2-Methoxyethyl)piperazine 1-(Cyclopropylmethyl)piperazine tert-Butyl 4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carboxylate ,97%1-Boc-4-(2-formylphenyl)piperazine 1-Boc-4-(4-formylphenyl)piperazine 1-Piperazinylpyrazin 1-(m-Chlorphenyl)piperazin N-Boc-4-(Cyclopropylmethyl)piperazine 1303512-02-8 4-(2-Bromo-phenyl)-piperazine-1-carboxylic acid tert-butyl ester

Anbieter50 Anbieter

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

南京一化生物科技有限公司13429882898; 13429882898

INTATRADE GmbH+49 3493/605464 · [email protected]

T&W GROUP021-61551611 13296011611 · [email protected]

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