1-(tert-Butoxycarbonyl)-4-piperidinecarboxylic acid

HCID 392871CAS 84358-13-4

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Grundinformationen

Standard-SMILES: CC(C)(C)OC(=O)N1CCC(C(=O)O)CC1
InChIKey: JWOHBPPVVDQMKB-UHFFFAOYSA-N
Summenformel: C11H19NO4
Durchschnittliche Molmasse: 229,27 g/mol
Monoisotopische Masse: 229,13140809

Namen und Bezeichner

Bevorzugter Name: 1-(tert-Butoxycarbonyl)-4-piperidinecarboxylic acid
IUPAC: 1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
Englischer Name: N-BOC-piperidine-4-carboxylic acid
Summenformel: C11H19NO4
Molmasse: 229.27

Namen und Synonyme

84358-13-4N-BOC-piperidine-4-carboxylic acid1-Boc-piperidine-4-carboxylic acid1-(tert-Butoxycarbonyl)-4-piperidinecarboxylic acid1-[(Tert-Butoxy)Carbonyl]Piperidine-4-Carboxylic AcidAAZ2CAT47BNSC 6939241,4-Piperidinedicarboxylic acid, 1-(1,1-dimethylethyl) ester1-tert-butoxycarbonylisonipecotic acidNSC-693924N-(tert-butoxycarbonyl)isonipecotic acidpiperidine-1,4-dicarboxylic acid 1-tert-butyl ester

Weitere Namen anzeigen

1-(TERT-BUTOXYCARBONYL)PIPERIDINE-4-CARBOXYLIC ACIDBOC-INP-OHBOC-ISONIPECOTIC ACIDBOC-INPBoc-DL-Inp-OHBOC-PIC(4)-OHAURORA KA-3052BUTTPARK 99\04-45RARECHEM AH CK 0061Bilastine Impurity 74

DTXSID702333431-tert-butoxycarbonyl-4-piperidinecarboxylic acidn-tert-butoxycarbonyl-4-piperidinecarboxylic acidpiperidine-1,4-dicarboxylic acid mono-tert-butyl ester1-[(tert-butyl)oxycarbonyl]piperidine-4-carboxylic acid1-(1,1-Dimethylethoxycarbonyl)Piperidine-4-Carboxylic Acidn-(tert-butoxycarbonyl)isonipecotinic acidn-(tert-butyloxycarbonyl)isonipecotic acid

Datenbank-Bezeichner

CAS: 84358-13-4
PubChem CID: 392871
DTXSID: DTXSID70233343
ChEMBL: CHEMBL1730672
UNII: AAZ2CAT47B
EC Number: 700-076-1
Nikkaji: J887.393C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,1
Polarare Oberfläche (TPSA): 66,8 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 3
Schwere Atome: 16
Formalladung: 0
Komplexität: 274

Physikochemische Eigenschaften

Schmelzpunkt: 148 · 148-153 °C
Siedepunkt: 353.2 · 353.2±35.0 °C(Predicted)
Dichte: 1.164 · 1.164±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
pka: 4.56 · 4.56±0.20(Predicted)
Aggregatzustand: Crystalline Powder
Farbe: White
Wasserlöslichkeit: Insoluble in water.
BRN: 5533442 · 5533442
Major Application: peptide synthesis
InChI: InChI=1S/C11H19NO4/c1-11(2,3)16-10(15)12-6-4-8(5-7-12)9(13)14/h8H,4-7H2,1-3H3,(H,13,14)
InChIKey: JWOHBPPVVDQMKB-UHFFFAOYSA-N
SMILES: N1(C(OC(C)(C)C)=O)CCC(C(O)=O)CC1
CAS Datenbank: 84358 · 84358-13-4(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 13 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory InformationStatus: Active Update: 27-10-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/31799

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 3
hs_code: 29339900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39-24/25
hazard_class: IRRITANT
Speicherklasse: 11 - Combustible Solids

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenIt is a pharmaceutical intermediate. he camptothecin ester of isonipecotic acid is installed on a triazine dendrimer intermediate obtained through an iterative, scalable route to ultimately yield cationic and PEGylated targets with activities in cell culture comparable to free drug.