1,4-Diazabicyclo(2.2.2)octane--trimethylalumane (1/2)

HCID 16688366CAS 137203-34-0

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Grundinformationen

Standard-SMILES: C1CN2CCN1CC2.[CH3][Al]([CH3])[CH3].[CH3][Al]([CH3])[CH3]
InChIKey: WSTAITCRSVOCTK-UHFFFAOYSA-N
Summenformel: C12H30Al2N2
Durchschnittliche Molmasse: 256,34 g/mol
Monoisotopische Masse: 256,20397622

Überblick

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Namen und Bezeichner

Bevorzugter Name: 1,4-Diazabicyclo(2.2.2)octane--trimethylalumane (1/2)
IUPAC: 1,4-diazabicyclo[2.2.2]octane;bis(trimethylalumane)
Englischer Name: Bis(trimethylaluminum)-1,4-diazabicyclo[2.2.2]octane adduct
Summenformel: C12H24Al2N2
Molmasse: 250.3

Namen und Synonyme

DTXSID205869171,4-Diazabicyclo(2.2.2)octane--trimethylalumane (1/2)1,4-Diazabicyclo[2.2.2]octane--trimethylalumane (1/2)RefChem:1053248DTXCID80537682137203-34-01,4-diazabicyclo[2.2.2]octane;trimethylalumaneDABAL-Me3SCHEMBL173954AKOS025294430Bis(trimethylaluminum)-DABCO(R) adduct, DABAL-Me3, DABAL-trimethylaluminum, Triethylenediaminine bis(trimethylaluminum)DABAL-trimethylaluminum

Weitere Namen anzeigen

Bis(trimethylaluminum)-DABCO(R) adductTriethylenediaminine bis(trimethylaluminum)1,4-diazabicyclo[2.2.2]octane,trimethylalumaneDABAL-Me3 (adduct of trimethylaluminum and DABCO)is(trimethylaluminum)-1，4-diazabicyclo[2.2.2]octane adduct1,4-DIAZABICYLO[2.2.2]OCTANE BIS(TRIMETHYLALUMINUM) COMPLEX1,4-Diazabicyclo[2.2.2]Octane Bis(Trimethylaluminum) ComplexBis(trimethylaluminum)-1,4-diazabicyclo[2.2.2]octane adduct

Datenbank-Bezeichner

CAS: 137203-34-0
PubChem CID: 16688366
DTXSID: DTXSID20586917

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 6,5 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 16
Formalladung: 0
Komplexität: 69,5

Physikochemische Eigenschaften

Schmelzpunkt: 250 °C · >250 °C
Flammpunkt: 23 °C · 23°C (73°F)
storage temp.: Hygroscopic, Room Temperature, Under inert atmosphere
Löslichkeit: Benzene (Slightly), DMSO (Slightly)
Aggregatzustand: Solid
Farbe: White to Off-White
Stabilität: Hygroscopic, Moisture Sensitive, Unstable in Aqueous Solution
InChI: 1S/C6H12N2.6CH3.2Al/c1-2-8-5-3-7(1)4-6-8;;;;;;;;/h1-6H2;6*1H3;;
InChIKey: WSTAITCRSVOCTK-UHFFFAOYSA-N
SMILES: C[Al-](C)(C)[N+]12CC[N+](CC1)(CC2)[Al-](C)(C)C

Sicherheit und Regulatorisches

Sicherheitsdaten

wgk: 3
ridadr: UN 3395 4.3/PG 1
risk_code: 14-15-22-36/37/38
hazard_code: F,Xn
safety_code: 16-26-43
Speicherklasse: 4.3 - Hazardous materials which set free flammable gases upon contact with water
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3Water-react 1

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenBis(trimethylaluminum)-DABCO(R) adduct, DABAL-Me3, DABAL-trimethylaluminum, Triethylenediaminine bis(trimethylaluminum) is a non-pyrophoric alternative to trimethylaluminum for use in numerous reactions including methylations of aldehydes and imines, methylations of aryl and vinyl halides, conjugate addition to enones, and amide bond formation.1