1-(tert-Butoxycarbonyl)-4-(2-hydroxyethyl)piperidine

HCID 854140CAS 89151-44-0

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Grundinformationen

Standard-SMILES: CC(C)(C)OC(=O)N1CCC(CCO)CC1
InChIKey: YBNJZIDYXCGAPX-UHFFFAOYSA-N
Summenformel: C12H23NO3
Durchschnittliche Molmasse: 229,32 g/mol
Monoisotopische Masse: 229,1677936

Namen und Bezeichner

Bevorzugter Name: 1-(tert-Butoxycarbonyl)-4-(2-hydroxyethyl)piperidine
IUPAC: tert-butyl 4-(2-hydroxyethyl)piperidine-1-carboxylate
Englischer Name: 1-Boc-4-(2-hydroxyethyl)piperidine
Summenformel: C12H23NO3
Molmasse: 229.32

Namen und Synonyme

1-(tert-Butoxycarbonyl)-4-(2-hydroxyethyl)piperidineRefChem:428695692-472-589151-44-0N-Boc-4-piperidineethanolTert-butyl 4-(2-hydroxyethyl)piperidine-1-carboxylate1-Boc-4-(2-hydroxyethyl)piperidineMFCD034270861-PIPERIDINECARBOXYLIC ACID, 4-(2-HYDROXYETHYL)-, 1,1-DIMETHYLETHYL ESTERN-Boc-4-piperidine ethanol2-(N-BOC-PIPERIDIN-4-YL)ETHANOL1-(tert-butoxycarbonyl)piperidin -4-ethanol

Weitere Namen anzeigen

Tirofiban Impurity 57Boc-4-piperidineethanol1-Boc-4-piperidineethanol1-BOC-4-PIPERIDINE EHTANOLBOC-2-(4-PIPERIDYL)ETHANOL1-Boc-4-(hydroxyethyl)pip...N-BOC-4-piperidine-β-ethanolN-Boc-4-piperidineethanol 97%

tert-Butyl 4-(hydroxyethyl)piperidine-1-carboxylate4-(2-Hydroxyeth-1-yl)-1-tert-butoxycarbonylpiperidineN-TERT-BUTOXYCARBONYL-4-PIPERIDINEETHANOLN-(tert-Butoxycarbonyl)-4-piperidineethanol4-(2-HYDROXYETHYL)PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTERN-Boc-4-piperidine-ethanolSCHEMBL310405SCHEMBL5341727

Datenbank-Bezeichner

CAS: 89151-44-0
PubChem CID: 854140
DTXSID: DTXSID30357554
ChEMBL: CHEMBL5305244
EC Number: 692-472-5
Nikkaji: J1.098.029A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,5
Polarare Oberfläche (TPSA): 49,8 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 4
Schwere Atome: 16
Formalladung: 0
Komplexität: 227

Physikochemische Eigenschaften

Siedepunkt: 120 · 120-150 °C/0.5 mmHg (lit.)
Dichte: 1.043 g/mL · 1.043 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.4730(lit.)
Flammpunkt: 230 °F · >230 °F
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Aggregatzustand: viscous liquid
pka: 15.1 · 15.10±0.10(Predicted)
Farbe: Colourless to light yellow
InChI: InChI=1S/C12H23NO3/c1-12(2,3)16-11(15)13-7-4-10(5-8-13)6-9-14/h10,14H,4-9H2,1-3H3
InChIKey: YBNJZIDYXCGAPX-UHFFFAOYSA-N
SMILES: N1(C(OC(C)(C)C)=O)CCC(CCO)CC1
CAS Datenbank: 89151 · 89151-44-0(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 3
hs_code: 2933399990
hazard_code: Xi
Speicherklasse: 10 - Combustible liquids

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenN-BOC-4-piperidine-β-ethanol is used to prepare anilinoquinazoline VEGF receptor tyrosine kinase inhibitors with antitumor activities. It is also used to synthesize 1,3,4-trisubstituted pyrrolidine CCR5 receptor antagonists with antiviral activities.