Ethylisocyanacetat

Bezeichnung:Ethylisocyanacetat

CAS-Nr2999-46-4

Englisch Name:Ethyl isocyanoacetate

CBNumberCB7209404

SummenformelC5H7NO2

Molgewicht113.11

MOL-Datei2999-46-4.mol

Synonyma

Ethylisocyanacetat

Ethylisocyanacetat physikalisch-chemischer Eigenschaften

Siedepunkt	194-196 °C (lit.)
Dichte	1.035 g/mL at 25 °C (lit.)
Dampfdruck	61.7Pa at 25℃
Brechungsindex	n20/D 1.418(lit.)
Flammpunkt	184 °F
storage temp.	2-8°C
Löslichkeit	Chloroform, Methanol (Slightly)
Aggregatzustand	Liquid
Farbe	Clear amber to dark brown
Wasserlöslichkeit	Miscible with organic solvents. Slightly miscible with water.
Sensitive	Moisture & Light Sensitive
BRN	3588613
Expositionsgrenzwerte	NIOSH: IDLH 25 mg/m3
LogP	0.91 at 25℃
CAS Datenbank	2999-46-4(CAS DataBase Reference)

Sicherheit

Kennzeichnung gefährlicher	Xn
R-Sätze:	20/22-20/21/22
S-Sätze:	36/37/39-26-36/37-24/25
RIDADR	UN 2810 6.1/PG 3
WGK Germany	3
F	8-9-21
HazardClass	6.1
PackingGroup	III
HS Code	29299090

Gefahreninformationscode (GHS)

Ethyl isocyanoacetate Chemische Eigenschaften,Einsatz,Produktion Methoden

R-Sätze Betriebsanweisung:
R20/22:Gesundheitsschädlich beim Einatmen und Verschlucken.
R20/21/22:Gesundheitsschädlich beim Einatmen,Verschlucken und Berührung mit der Haut.
S-Sätze Betriebsanweisung:
S36/37/39:Bei der Arbeit geeignete Schutzkleidung,Schutzhandschuhe und Schutzbrille/Gesichtsschutz tragen.
S26:Bei Berührung mit den Augen sofort gründlich mit Wasser abspülen und Arzt konsultieren.
S36/37:Bei der Arbeit geeignete Schutzhandschuhe und Schutzkleidung tragen.
Chemische Eigenschaften
Light yellow to brom liquid. Slightly soluble in water and lye, miscible in ethanol and ether.
Verwenden
Ethyl Isocyanoacetate, is a cyclization synthon used to prepare pyrroles, oxazolines, benzodiazepines, oxazoles and imidazoles. Ethyl isocyanoacetate can be used to prepare pyrroles,1,2 oxazolines, benzodiazepines, oxazoles and imidazoles.
Verwenden
Ethyl isocyanoacetate is used in the syntheses of 7-aza-tetrahydroindoles, oxazolines, benzodiazepines, imidazoles and oxazoles. For example, it is involved in the synthesis of 1H-indole-2-carboxylate by condensing with 2-bromo benzenealdehyde using CuI as a catalyst. It is a precursor used in the preparation of ethyl thiazole-4-carboxylate upon reaction with O-ethyl thioformate.
synthetische
synthesis of ethyl isocyanoacetate
A solution containing N-formyl glycine ethyl ester (1, 1.31 g, 10 mmol), DIPEA (2.62 g, 20 mmol) and DMAP (0.45 g, 3 mmol) in dry DCM (10 mL) was loaded in a sample loop and combined with a second stream containing triphosgene (2, 0.98 g, 3.3 mmol) also dissolved in dry DCM (10 mL) at individual channel flow rates of 0.5 mL/min. The combined stream was directed into two linked 10 mL FEP reactor vessels to achieve a 20 minutes residence time at ambient temperature. The output was collect and the solvent was carefully evaporated to 80% of its total volume. The crude material was filtered through silica (5 g) and washed with DCM (2 × 10 mL) to obtain the salt-free product. The desired product 3 was obtained as dark yellow oil after evaporation of the organic phase (1.03 g, 91 % isolated yield, >97% purity by 1H NMR).
Allgemeine Beschreibung
Material may darken upon storage

Ethyl isocyanoacetate Upstream-Materialien And Downstream Produkte

Ethylisocyanacetat Anbieter Lieferant Produzent Hersteller Vertrieb Händler.

2999-46-4, Ethyl isocyanoacetate Verwandte Suche:

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