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

Basic Information

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CAS Number

97600-39-0

Molecular Formula

C60H80O12

Molecular Weight

993.29 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

152.0 to 157.0 deg-C

Boiling Point

788.39°C (rough estimate)

Density

0.9747 (rough estimate)

Refractive Index

1.7500 (estimate)

SMILES

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CCOC(=O)COC1=C2CC3=CC(=CC(=C3OCC(=O)OCC)CC4=C(C(=CC(=C4)C(C)(C)C)CC5=C(C(=CC(=C5)C(C)(C)C)CC1=CC(=C2)C(C)(C)C)OCC(=O)OCC)OCC(=O)OCC)C(C)(C)C

InChI

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

InChIKey

HZHADWCIBZZJNV-UHFFFAOYSA-N

LogP

11.320799999999993

Topological Polar Surface Area

142.12 Å²

Hydrogen Bond Donor/Acceptor

0 / 12

Complexity

1420

Synonyms & References

English

4-tert-Butylcalix[4]arene-tetraacetic acid tetraethyl ester
Tetraethyl 4-tert-Butylcalix[4]arene-O,O',O'',O'''-tetraacetate
Sodium ionophore X
4-tert-Butylcalix[4]arene-O,O',O'',O'''-tetraacetic Acid Tetraethyl Ester
aacetate
C60H80O12
BBL102985
STL556794
ABP001035
X3580
p-tert-Butylcalix[4]arene tetrakis(ethyl acetate)
600T390
Sodium ionophore X, Selectophore(TM), function tested
4-t-butylcalix[4]arene-tetraacetic acid tetraethyl ester
4-TERT-BUTYLCALIX[4]ARENE-TETRAACETIC
Pentacyclo[19.3.1.13,7.19,13.115,19]octacosane, acetic acid deriv. (ZCI)
4-tert-Butyl calix[4]arene-O,O′,O′′,O′′′-tetraacetic acid tetraethyl ester
4-tert-Butylcalix[4]arenetetra-O-acetic acid tetraethyl ester
4-tert-Butylcalix[4]arenetetraacetic acid tetraethyl ester
5,11,17,23-Tetra-tert-butyl-25,26,27,28-tetrakis(2-ethoxy-2-oxoethoxy)calix[4]arene
CALX-B 4EA
tert-Butyl calix[4]arenetetraacetic acid tetraethyl ester
Tetrakis[(4-tert-butyl-2-methylenephenoxy)ethyl acetate]
tetraethyl 2,2',2'',2'''-{[5,11,17,23-tetra-tert-butylpentacyclo[19.3.1.1~3,7~.1~9,13~.1~15,19~]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaene-25,26,27,28-tetrayl]tetrakis(oxy)}tetr aacetate
AKOS015896891
SCHEMBL4316384
ethyl 2-{[5,11,17,23-tetra-tert-butyl-26,27,28-tris(2-ethoxy-2-oxoethoxy)pentacyclo[19.3.1.1(3),?.1?,(1)(3).1(1)?,(1)?]octacosa-1(25),3,5,7(28),9,11,13(27),15(26),16,18,21,23-dodecaen-25-yl]oxy}acetate
4-tert-Butylcalix[4]arenetetraacetic acid tetraethyl ester, 97%
ethyl 2-[[5,11,17,23-tetratert-butyl-26,27,28-tris(2-ethoxy-2-oxoethoxy)-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]oxy]acetate
Tetraethyl 2,2',2'',2'''-((15,35,55,75-tetra-tert-butyl-1,3,5,7(1,3)-tetrabenzenacyclooctaphane-12,32,52,72-tetrayl)tetrakis(oxy))tetraacetate
97600-39-0

MDL Number

MFCD00145373

FAQ

What is 4-tert-Butylcalix[4]arene-tetraacetic acid tetraethyl ester (CAS: 97600-39-0)?

4-tert-Butylcalix[4]arene-tetraacetic acid tetraethyl ester (CAS: 97600-39-0) is a complex organic compound with a unique structure. It is derived from calix[4]arene, a macrocyclic organic compound, and is characterized by its four-membered cavity and multiple carboxylic acid groups. This compound is known for its potential in drug delivery systems and as a chelating agent due to its ability to form stable complexes with metal ions.

What are the main uses of 4-tert-Butylcalix[4]arene-tetraacetic acid tetraethyl ester (CAS: 97600-39-0)?

The main uses of 4-tert-Butylcalix[4]arene-tetraacetic acid tetraethyl ester (CAS: 97600-39-0) include applications in drug delivery systems, where it can encapsulate and deliver drugs more effectively. It is also used as a chelating agent in various industrial processes to complex with metal ions, enhancing the efficiency of certain chemical reactions and treatments.

Is 4-tert-Butylcalix[4]arene-tetraacetic acid tetraethyl ester (CAS: 97600-39-0) safe?

4-tert-Butylcalix[4]arene-tetraacetic acid tetraethyl ester (CAS: 97600-39-0) is generally safe when used as directed. However, like any chemical, it should be handled with care to avoid skin contact and inhalation. Proper ventilation and protective equipment are recommended for safe handling. Spills should be cleaned up using appropriate methods to prevent environmental contamination.

How should 4-tert-Butylcalix[4]arene-tetraacetic acid tetraethyl ester (CAS: 97600-39-0) be stored?

4-tert-Butylcalix[4]arene-tetraacetic acid tetraethyl ester (CAS: 97600-39-0) should be stored in a cool, dry place away from direct sunlight and heat sources. The container should be tightly sealed to prevent moisture absorption. It should be stored at room temperature (15-25°C) and protected from humidity and light to maintain its stability and effectiveness. Use appropriate containers to ensure compatibility and prevent degradation.