2,2,6,6-Tetramethylheptan-3,5-dion

Bezeichnung:2,2,6,6-Tetramethylheptan-3,5-dion

CAS-Nr1118-71-4

Englisch Name:2,2,6,6-Tetramethyl-3,5-heptanedione

CBNumberCB1373637

SummenformelC11H20O2

Molgewicht184.28

MOL-Datei1118-71-4.mol

Synonyma

2,2,6,6-Tetramethylheptan-3,5-dion

2,2,6,6-Tetramethylheptan-3,5-dion physikalisch-chemischer Eigenschaften

Schmelzpunkt	>400 °C (decomp)
Siedepunkt	72-73 °C/6 mmHg (lit.)
Dichte	0.883 g/mL at 25 °C (lit.)
Brechungsindex	n20/D 1.459(lit.)
Flammpunkt	153 °F
storage temp.	Sealed in dry,Room Temperature
Löslichkeit	Difficult to mix.
pka	11.60±0.10(Predicted)
Aggregatzustand	Liquid
Farbe	Clear colorless to slightly yellow
Wichte	0.883
BRN	1447269
InChIKey	YRAJNWYBUCUFBD-UHFFFAOYSA-N
LogP	2.818 (est)
CAS Datenbank	1118-71-4(CAS DataBase Reference)
EPA chemische Informationen	3,5-Heptanedione, 2,2,6,6-tetramethyl- (1118-71-4)

Sicherheit

Kennzeichnung gefährlicher	Xn
R-Sätze:	22-40-36/37/38
S-Sätze:	24/25-36-26-22
RIDADR	UN 1993 / PGIII
WGK Germany	3
TSCA	T
HS Code	29141900

Gefahreninformationscode (GHS)

2,2,6,6-Tetramethyl-3,5-heptanedione Chemische Eigenschaften,Einsatz,Produktion Methoden

R-Sätze Betriebsanweisung:
R22:Gesundheitsschädlich beim Verschlucken.
R40:Verdacht auf krebserzeugende Wirkung.
R36/37/38:Reizt die Augen, die Atmungsorgane und die Haut.
S-Sätze Betriebsanweisung:
S24/25:Berührung mit den Augen und der Haut vermeiden.
S36:DE: Bei der Arbeit geeignete Schutzkleidung tragen.
S26:Bei Berührung mit den Augen sofort gründlich mit Wasser abspülen und Arzt konsultieren.
S22:Staub nicht einatmen.
Chemische Eigenschaften
CLEAR COLOURLESS TO SLIGHTLY YELLOW LIQUID
Verwenden
2,2,6,6-tetramethyl-3,5-heptanedione was used in the synthesis of α-aryl-β-diketones1 and dicyanamidobenzene-bridge diruthenium complex.
Verwenden
suzuki reaction
Verwenden
2,2,6,6-Tetramethyl-3,5-heptanedione is a beta diketone with antibacterial activity.
Definition
2,2,6,6-Tetramethyl-3,5-heptanedioneis a stable, anhydrous reagent. It undergoes O-additions and C-additions. In various reactions, it acts as an air-stable ligand for metal catalysts. Furthermore, it serves as a substrate for heterocycles.
Synthesis Reference(s)
Journal of the American Chemical Society, 100, p. 5428, 1978 DOI: 10.1021/ja00485a030
Allgemeine Beschreibung
Acylation, a replacement to silylation, allows the conversion of compounds that consist of active hydrogens (-OH, -SH and -NH) into esters, thioesters, and amides via the action of a carboxylic acid or derivative. The carbonyl group adjacent to the halogenated carbons is known to improve the electron capture detector (ECD) response. Acylation has several advantages:
- It enhances the stability of compounds by protecting unstable groups.
- It may confer volatility on substances like carbohydrates or amino acids, that have several polar groups that they are non-volatile and usually decompose on heating.
- It facilitates the separations not possible with underivatized compounds.
- Compounds are detectable at very low levels with an ECD.
2,2,6,6-Tetramethyl-3,5-heptanedione is a reagent used to form fragmentation-directing derivatives for GC/MS analysis.
Synthese
Methyl pivalate and formamide could be used as starting materials to synthesize 2,2,6,6-Tetramethyl-3,5-heptanedione.

2,2,6,6-Tetramethyl-3,5-heptanedione Upstream-Materialien And Downstream Produkte

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