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799505

Sigma-Aldrich

Ethane diamine cycloimine organic cage

Synonym(s):

CC1, Cage 1

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About This Item

Empirical Formula (Hill Notation):
C48H48N12
CAS Number:
1245063-59-5
Molecular Weight:
792.98
UNSPSC Code:
26111700
PubChem Substance ID:
329768707
NACRES:
NA.23

Assay

>98%

form

powder

storage temp.

2-8°C

SMILES string

C1(/C=N/CC/N=C/C2=CC(/C=N/CC/N=C/3)=CC(/C=N/CC/N=C/4)=C2)=CC(/C=N/CC/N=C/C5=CC4=CC6=C5)=CC(/C=N/CC/N=C/C7=CC3=CC(/C=N/CC/N=C/6)=C7)=C1

InChI

1S/C48H48N12/c1-2-50-26-38-15-41-18-42(16-38)30-54-8-10-58-34-46-20-44-22-48(24-46)36-60-12-11-59-35-47-21-43(19-45(23-47)33-57-9-7-53-29-41)31-55-5-3-51-27-39-13-37(25-49-1)14-40(17-39)28-52-4-6-56-32-44/h13-36H,1-12H2/b49-25+,50-26+,51-27+,52-28+,53-29+,54-30+,55-31+,56-32+,57-33+,58-34+,59-35+,60-36+

InChI key

GUTZSUDNSFKJNV-WMKISWKQSA-N

Application

Cage-MOFs are metal organic frameworks (MOFs) having porous organic ligands. The CC1 cage finds applications as organic linker for ‘Cage-MOFs′ synthesis.[1][2][3]

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

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Jamie L Culshaw et al.
Journal of the American Chemical Society, 135(27), 10007-10010 (2013-06-22)
A simple, one-step amidation reaction is used to produce a range of 12-arm organic building blocks for supramolecular chemistry via the derivatization of porous imine cages. As an example, microporous dendrimers are prepared.
Tomokazu Tozawa et al.
Nature materials, 8(12), 973-978 (2009-10-27)
Porous materials are important in a wide range of applications including molecular separations and catalysis. We demonstrate that covalently bonded organic cages can assemble into crystalline microporous materials. The porosity is prefabricated and intrinsic to the molecular cage structure, as
Shashikala I Swamy et al.
Journal of the American Chemical Society, 132(37), 12773-12775 (2010-08-28)
We report here the synthesis of a metal-organic framework comprising an organic cage linker with covalently prefabricated, intrinsic porosity. The network can be compared to a porous rock salt structure where the pores are partially filled by charge-balancing cations.

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