1-((Tert-butoxy)carbonyl)-4-phenylpiperidine-4-carboxylic acid

HCID 736917CAS 167262-68-2

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Grundinformationen

Standard-SMILES: CC(C)(C)OC(=O)N1CCC(C(=O)O)(c2ccccc2)CC1
InChIKey: ZDWOYDIXKYSZPX-UHFFFAOYSA-N
Summenformel: C17H23NO4
Durchschnittliche Molmasse: 305,4 g/mol
Monoisotopische Masse: 305,16270822

Namen und Bezeichner

Bevorzugter Name: 1-((Tert-butoxy)carbonyl)-4-phenylpiperidine-4-carboxylic acid
IUPAC: 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylpiperidine-4-carboxylic acid
Englischer Name: BOC-4-PHENYLPIPERIDINE-4-CARBOXYLIC ACID
Summenformel: C17H23NO4
Molmasse: 305.37

Namen und Synonyme

1-[(tert-butoxy)carbonyl]-4-phenylpiperidine-4-carboxylic acid1-((Tert-butoxy)carbonyl)-4-phenylpiperidine-4-carboxylic acidRefChem:419089818-930-8167262-68-21-(tert-Butoxycarbonyl)-4-phenylpiperidine-4-carboxylic acidBOC-4-PHENYLPIPERIDINE-4-CARBOXYLIC ACID1-(tert-butoxycarbonyl)-4-phenyl-4-piperidinecarboxylic acidMFCD006737741-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylpiperidine-4-carboxylic acidN-Boc-4-phenyl-4-piperidinecarboxylic acid1,4-Piperidinedicarboxylicacid, 4-phenyl-, 1-(1,1-dimethylethyl) ester

Weitere Namen anzeigen

RARECHEM EM WB 01821-BOC-4-phenylpiperidine-4-carboxylic acid4-phenylpiperidine-1,4-dimate 1-tert-butyl esterBoc-4-phenylpiperidine-4-carboxylic acid≥ 99% (HPLC)4-PHENYL-PIPERIDINE-1,4-DICARBOXYLIC ACID MONO-TERT-BUTYL ESTER1-[[(tert-Butyl)oxy]carbonyl]-4-phenyl-4-piperidinecarboxylic acid

1-tert-Butoxycarbonyl-4-phenyl-piperidine-4-carboxylic acid1-[(tert-butyl)oxycarbonyl]-4-phenylpiperidine-4-carboxylic acidPh-Pip(Boc)-OHOprea1_008795SCHEMBL972474DTXSID10353135ZDWOYDIXKYSZPX-UHFFFAOYSA-NSBB053338

Datenbank-Bezeichner

CAS: 167262-68-2
PubChem CID: 736917
DTXSID: DTXSID10353135
EC Number: 818-930-8
Nikkaji: J2.004.507H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,6
Polarare Oberfläche (TPSA): 66,8 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 4
Schwere Atome: 22
Formalladung: 0
Komplexität: 413

Physikochemische Eigenschaften

Schmelzpunkt: 187 · 187-189°C
Siedepunkt: 450 · 450.0±45.0 °C(Predicted)
Dichte: 1.176 · 1.176
storage temp.: 0 · Store at 0-5°C
pka: 4.09 · 4.09±0.20(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

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

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.