HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
N,N'-Bis(tert-butoxycarbonyl)-1H-pyrazole-1-carboxamidine
N,N'-Di-Boc-1H-pyrazole-1-carboxamidine · tert-Butyl (((tert-butoxycarbonyl)imino)(1H-pyrazol-1-yl)methyl)carbamate · tert-Butyl [(Boc-aMino)(1H-pyrazol-1-yl)Methylene]carbaMate · tert-butyl N-[(tert-butoxycarbonylamino)-pyrazol-1-yl-methylene]carbamate · tert-Butyl (NZ)-N-[(tert-butoxycarbonylamino)-pyrazol-1-yl-methylene]carbamate · uanyL · Boc-Pyrazol · PYRAZOL(BOC)2
Identifikatoren & physikalische Daten
| CAS No. | 152120-54-2 |
|---|---|
| Summenformel | C14H22N4O4 |
| Durchschnittliche Molmasse | 310,35 g/mol |
| SMILES | CC(C)(C)OC(=O)N=C(NC(=O)OC(C)(C)C)n1cccn1 |
| InChIKey | QFNFDHNZVTWZED-UHFFFAOYSA-N |
| PubChem CID | 4428040 |
| ChEMBL | CHEMBL4976349 |
| EC No. | 629-085-8 |
Chemische & physikalische Eigenschaften
| XLogP | 3,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 94,8 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 6 |
| Schwere Atome | 22 |
| Formalladung | 0 |
| Komplexität | 449 |
| Schmelzpunkt | 86-90 °C(lit.) |
| Dichte | 1.16±0.1 g/cm3(Predicted) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | Chloroform (Slghtly), Methanol (Slightly)Slightly soluble in water. Soluble in methanol, and chloroform. |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 6.92±0.46(Predicted) |
| Farbe | White to Off-White |
| Hauptanwendungen | peptide synthesis |
| InChI | InChI=1S/C14H22N4O4/c1-13(2,3)21-11(19)16-10(18-9-7-8-15-18)17-12(20)22-14(4,5)6/h7-9H,1-6H3,(H,16,17,19,20) |
| InChIKey | QFNFDHNZVTWZED-UHFFFAOYSA-N |
| SMILES | C(OC(C)(C)C)(=O)/N=C(/NC(OC(C)(C)C)=O)\N1C=CC=N1 |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (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 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29331990 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
N,N'-Di-Boc-1H-pyrazole-1-carboxamidine is used in the stereoselective synthesis of the bicyclic guanidine alkaloid (+)-monanchorin.