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· · COA & SDS available for every product · Same-day shipping on in-stock items 4-tert-Butyl-1-(ethoxycarbonylmethoxy)thiacalix[4]arene - ≥94%(HPLC) , CAS No.210706-03-9
Synonyms
Tetra-tert-butyl[tetrakis(ethoxycarbonylmethoxy)]tetrathiacalix[4]arene | 4-t-butyl-1-(ethoxycarbonylmethoxy)thiacalix[4]arene | ethyl 2-{[5,11,17,23-tetra-tert-butyl-26,27,28-tris(2-ethoxy-2-oxoethoxy)-2,8,14,20-tetrathiapentacyclo[19.3.1.1?,?.1?,??.1??,
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Why this grade ≥94%(HPLC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships Normal Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Synonyms
Tetra-tert-butyl[tetrakis(ethoxycarbonylmethoxy)]tetrathiacalix[4]arene | 4-t-butyl-1-(ethoxycarbonylmethoxy)thiacalix[4]arene | ethyl 2-{[5, 11, 17, 23-tetra-tert-butyl-26, 27, 28-tris(2-ethoxy-2-oxoethoxy)-2, 8, 14, 20-tetrathiapentacyclo[19.3.1.1?, ?.1?, ??.1??,
Specifications & Purity
≥94%(HPLC)
Names and Identifiers Canonical Smiles CCOC(=O)COC1=C2C=C(C=C1SC3=CC(=CC(=C3OCC(=O)OCC)SC4=CC(=CC(=C4OCC(=O)OCC)SC5=C(C(=CC(=C5)C(C)(C)C)S2)OCC(=O)OCC)C(C)(C)C)C(C)(C)C)C(C)(C)C IUPAC Name ethyl 2-[[5,11,17,23-tetratert-butyl-26,27,28-tris(2-ethoxy-2-oxoethoxy)-2,8,14,20-tetrathiapentacyclo[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-dodecaen-25-yl]oxy]acetate InChIKey IGVIIKFHGZNQFL-UHFFFAOYSA-N INCHI 1S/C56H72O12S4/c1-17-61-45(57)29-65-49-37-21-33(53(5,6)7)22-38(49)70-40-24-35(55(11,12)13)26-42(51(40)67-31-47(59)63-19-3)72-44-28-36(56(14,15)16)27-43(52(44)68-32-48(60)64-20-4)71-41-25-34(54(8,9)10)23-39(69-37)50(41)66-30-46(58)62-18-2/h21-28H,17-20,29-32H2,1-16H3 Isomeric SMILES CCOC(=O)COC1=C2C=C(C=C1SC3=CC(=CC(=C3OCC(=O)OCC)SC4=CC(=CC(=C4OCC(=O)OCC)SC5=C(C(=CC(=C5)C(C)(C)C)S2)OCC(=O)OCC)C(C)(C)C)C(C)(C)C)C(C)(C)C PubChem CID 5248766 Molecular Weight 1065.42 Reaxy-Rn 8183890
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS → ✅ Certificate of Analysis (COA) Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Organic acids and derivatives Class Carboxylic acids and derivatives Subclass Tetracarboxylic acids and derivatives Intermediate Tree Nodes Not available Direct Parent Tetracarboxylic acids and derivatives Alternative Parents Phenoxyacetic acid derivatives Phenol ethers Alkyl aryl ethers Heteroaromatic compounds Carboxylic acid esters Organic oxides Hydrocarbon derivatives Carbonyl compounds Molecular Framework Aromatic heteropolycyclic compounds Substituents Tetracarboxylic acid or derivatives - Phenoxyacetate - Phenol ether - Alkyl aryl ether - Benzenoid - Heteroaromatic compound - Carboxylic acid ester - Organoheterocyclic compound - Ether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as tetracarboxylic acids and derivatives. These are carboxylic acids containing exactly four carboxyl groups. External Descriptors Not available Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
3D Structure Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 1065.400 g/mol XLogP3 16.000 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 16 Rotatable Bond Count 24 Exact Mass 1064.39 Da Monoisotopic Mass 1064.39 Da Topological Polar Surface Area 243.000 Ų Heavy Atom Count 72 Formal Charge 0 Complexity 1440.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 0 Defined Bond Stereocenter Count 0 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 0 Covalently-Bonded Unit Count 1
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