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294-92-8

294-92-8 Structure

294-92-8 Structure
IdentificationBack Directory
[Name]

1,7-DIAZA-12-CROWN-4
[CAS]

294-92-8
[Synonyms]

1,7-DIAZA-12-CROWN-4
1,7-Diaza-12-crown-4,98%
4,10-DIAZA-12-CROWN 4-ETHER
1,7-Diaza-12-crown-4 >=97.0%
1,7-DIOXA-4,10-DIAZACYCLODODECANE
4,10-dioxa-1,7-diazacyclododecane
1,7-Diaza-4,10-dioxacyclododecane
[EINECS(EC#)]

206-034-4
[Molecular Formula]

C8H18N2O2
[MDL Number]

MFCD00142571
[MOL File]

294-92-8.mol
[Molecular Weight]

174.24
Chemical PropertiesBack Directory
[Appearance]

white to slightly yellow needle like
[Melting point ]

86 °C
[Boiling point ]

305.23°C (rough estimate)
[density ]

1.0752 (rough estimate)
[refractive index ]

1.4540 (estimate)
[storage temp. ]

0-6°C
[form ]

powder to crystal
[pka]

9.09±0.20(Predicted)
[color ]

White to Light yellow
[BRN ]

606115
[InChI]

InChI=1S/C8H18N2O2/c1-5-11-7-3-10-4-8-12-6-2-9-1/h9-10H,1-8H2
[InChIKey]

PWJHXHMUGFXPSN-UHFFFAOYSA-N
[SMILES]

O1CCNCCOCCNCC1
Hazard InformationBack Directory
[Chemical Properties]

white to slightly yellow needle like
[Uses]

1,7-Diaza-12-crown-4 can be used to prepare:
  • A ligand named N,N′-bis[(6-carboxy-2-pyridyl)methyl]-1,7-diaza-12-crown-4, which is used to synthesize lanthanide metal complexes applicable as MRI contrast agents.
  • A novel chiral receptor that can be used in the separation of enantiomers using capillary electrophoresis.
  • A fluorescent anthracene based diazacrown ether, which can be used as a photoinduced electron transfer (PET) fluorescent sensor for guest cations.

[Synthesis]

Preparation of azacrown ether: the bromine salt of compound 1,7-dioxa-4,10-tetraaza (2.6 g, 5.39 mmol) and phenol (3.04 g, 32.32 mmol) were added to 150 mL of 33% hydrogen bromide acetic acid solution. The reaction was warmed up to reflux at 80 °C and sti
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

36/37/38
[Safety Statements ]

26
[WGK Germany ]

3
[HS Code ]

2934.99.9001
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Spectrum DetailBack Directory
[Spectrum Detail]

1,7-DIAZA-12-CROWN-4(294-92-8)1HNMR
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