N,N'-Di-Boc-1H-pyrazole-1-carboximidamide
Grundinformationen
- CAS
152120-54-2- Standard-SMILES
CC(C)(C)OC(=O)/N=C(/NC(=O)OC(C)(C)C)n1cccn1- InChIKey
QFNFDHNZVTWZED-UHFFFAOYSA-N- Summenformel
- C14H22N4O4
- Durchschnittliche Molmasse
- 310,35 g/mol
- Monoisotopische Masse
- 310,16410518
Überblick
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Namen und Bezeichner
- Bevorzugter Name
- N,N'-Di-Boc-1H-pyrazole-1-carboximidamide
- IUPAC
- tert-butyl (NZ)-N-[[(2-methylpropan-2-yl)oxycarbonylamino]-pyrazol-1-ylmethylidene]carbamate
- Englischer Name
- N,N'-Bis-Boc-1-guanylpyrazole
- Summenformel
- C14H22N4O4
- Molmasse
- 310.35
Namen und Synonyme
152120-54-2N,N-Bis-Boc-1-GuanylpyrazoleN,N'-Di-Boc-1H-pyrazole-1-carboximidamide1-[N,N'-(Di-Boc)amidino]pyrazoletert-butyl (NZ)-N-[[(2-methylpropan-2-yl)oxycarbonylamino]-pyrazol-1-ylmethylidene]carbamateBis-Boc-pyrazolocarboxamidineN,N'-Bis-(t-butyl-oxycarbonyl)-1-guanylpyrazole1143572-00-2tert-Butyl [(Boc-amino)(1H-pyrazol-1-yl)methylene]carbamatetert-butyl (NE)-N-[[(2-methylpropan-2-yl)oxycarbonylamino]-pyrazol-1-ylmethylidene]carbamate1,1-Dimethylethyl N-[(Z)-[[(1,1-dimethylethoxy)carbonyl]amino]-1H-pyrazol-1-ylmethylene]carbamatePyrazol(BOC)2
Weitere Namen anzeigen
N,N'-Di-Boc-1H-pyrazole-1-carboxamidinetert-butyl N-[(tert-butoxycarbonylamino)-pyrazol-1-yl-methylene]carbamatetert-Butyl (NZ)-N-[(tert-butoxycarbonylamino)-pyrazol-1-yl-methylene]carbamateuanyLBoc-PyrazolPYRAZOLE(BOC)2N,N'-Bis-boc-1-g
DTXSID90423002AS-11124Z1741971467tert-butyl (((tert-butoxycarbonyl)imino)(1H-pyrazol-1-yl)methyl)carbamate1-[N,N'-Bis(tert-butoxycarbonylN,N'-Bis(tert-butoxycarbonyl)-1H-pyrazole-1-carboximidamideTYD-00160AKOS005146335
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,1
- Polarare Oberfläche (TPSA)
- 94,8 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 6
- Schwere Atome
- 22
- Formalladung
- 0
- Komplexität
- 449
Physikochemische Eigenschaften
- Schmelzpunkt
- 86 · 86-90 °C(lit.)
- Dichte
- 1.16 · 1.16±0.1 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- Löslichkeit
- Chloroform (Slghtly), Methanol (Slightly)
- Aggregatzustand
- Solid
- pka
- 6.92 · 6.92±0.46(Predicted)
- Farbe
- White to Off-White
- Wasserlöslichkeit
- Slightly soluble in water. Soluble in methanol, and chloroform.
- Major Application
- 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 und Regulatorisches
GHS-Klassifizierung
GHS Classification
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 46 reports by companies from 6 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
- 29331990
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Anwendungen
VerwendenN,N'-Di-Boc-1H-pyrazole-1-carboxamidine is used in the stereoselective synthesis of the bicyclic guanidine alkaloid (+)-monanchorin.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
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