tert-butyl N-(2-oxoethyl)carbamate

tert-butyl 2-oxoethylcarbaMate · TERT-BUTYL N-(2-OXOETHYL)CARBAMATE · (2-OXO-ETHYL)-CARBAMIC ACID TERT-BUTYL ESTER · N-(t-butoxycarbonyl)glycinal · EOS-61204 · 2-Boc-Aminoacetaldehyde · n-boc-2-aminoacetaldehyde · 40N-Boc-2-aminoacetaldehyde

https://huagongshe.com/de/chemical/4247255

Molekülstruktur von tert-butyl N-(2-oxoethyl)carbamate

Identifikatoren & physikalische Daten

CAS No.	89711-08-0
Summenformel	C7H13NO3
Durchschnittliche Molmasse	159,18 g/mol
Monoisotopische Masse	159,08954328 g/mol
SMILES	CC(C)(C)OC(=O)NCC=O
InChIKey	ACNRTYKOPZDRCO-UHFFFAOYSA-N
PubChem CID	4247255
ChEMBL	CHEMBL94805
EC No.	887-628-6
DTXSID	DTXSID70401186

Chemische & physikalische Eigenschaften

XLogP	0,5
Polarare Oberfläche (TPSA)	55,4
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	3
Frei drehbare Bindungen	4
Schwere Atome	11
Formalladung	0
Komplexität	148
Siedepunkt	237.2±23.0 °C(Predicted)
Dichte	1.035±0.06 g/cm3(Predicted)
Brechungsindex	n20/D 1.455(lit.)
Flammpunkt	>230 °F
Lagerbedingungen	-20°C
Löslichkeit	DMSO (Slightly), Methanol (Slightly)
pKa (Säurekonstante)	11.35±0.46(Predicted)
Aggregatzustand	Solid
Farbe	Colourless to Light Yellow Gel
Stabilität	Hygroscopic, Temperature Sensitive
InChI	InChI=1S/C7H13NO3/c1-7(2,3)11-6(10)8-4-5-9/h5H,4H2,1-3H3,(H,8,10)
InChIKey	ACNRTYKOPZDRCO-UHFFFAOYSA-N
SMILES	C(OC(C)(C)C)(=O)NCC=O

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)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard Classes and Categories	Skin Irrit. 2 (100%)
Wassergefährdungsklasse (WGK)	3
Zollcode	2924297099
Lagerklasse	11 - Combustible Solids

Anwendungen & Verwendung

Verwenden

N-Boc-2-aMinoacetaldehyde can be also used in a three-component synthesis of pyrrolidines involving 1,3-dipolar cycloaddition.