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19732

Sigma-Aldrich

4-tert-Butylcalix[4]arene-tetraacetic acid tetraethyl ester

purum, ≥97.0% (HPLC)

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About This Item

Empirical Formula (Hill Notation):
C60H80O12
CAS Number:
97600-39-0
Molecular Weight:
993.27
Beilstein/REAXYS Number:
3587002
MDL number:
MFCD00145373
UNSPSC Code:
12352108
PubChem Substance ID:
329751939

grade

purum

assay

≥97.0% (HPLC)

mp

153-158 °C

SMILES string

CCOC(=O)COc1c2Cc3cc(cc(Cc4cc(cc(Cc5cc(cc(Cc1cc(c2)C(C)(C)C)c5OCC(=O)OCC)C(C)(C)C)c4OCC(=O)OCC)C(C)(C)C)c3OCC(=O)OCC)C(C)(C)C

InChI

1S/C60H80O12/c1-17-65-49(61)33-69-53-37-21-39-27-46(58(8,9)10)29-41(54(39)70-34-50(62)66-18-2)23-43-31-48(60(14,15)16)32-44(56(43)72-36-52(64)68-20-4)24-42-30-47(59(11,12)13)28-40(55(42)71-35-51(63)67-19-3)22-38(53)26-45(25-37)57(5,6)7/h25-32H,17-24,33-36H2,1-16H3

Inchi Key

HZHADWCIBZZJNV-UHFFFAOYSA-N

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Other Notes

Substituted calixarene with interesting cation-binding properties[1][2]; Synthesis of an ester with fluorescent response to complexation[3]

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C. Perez-Jimenez et al.
Journal of the Chemical Society. Chemical Communications, 480-480 (1993)
Inorganic Chemistry, 32, 2644-2644 (1993)
F. Arnaud-Neu et al.
Journal of the American Chemical Society, 111, 8681-8681 (1989)

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