Tetraethylene Glycol Bis(p-toluenesulfonate) - ≥98%(HPLC) , CAS No.37860-51-8

CAS: 37860-51-8 Cat. No.: T161860 Molecular Weight: 502.59 Beilstein Registry Number: 1610990 EC Number: 629-271-9 PubChem CID: 3706987

GRADE & PURITY ≥98%(HPLC)

Synonyms

2,2'-(Ethylenedioxy)triethyl ditosylate | 2-[2-(2-{2-[(4-Methylbenzenesulfonyl)oxy]-ethoxy}ethoxy)ethoxy]ethyl 4-methylbenzene-1-sulfonate | 2-[2-(2-{2-[(4-methylbenzenesulfonyl)oxy]ethoxy}ethoxy)ethoxy]ethyl 4-methylbenzene-1-sulfonate | Bis[2-(2-tosylox

Storage

Room temperature

Shipped In

Normal

Application

227,228,229

Overview

Tetraethylene glycol di(p-toluenesulfonate) was used in the preparation of donor-spacer-acceptor podand system, dual channel fluorosensor for Li+, Mg2+ and Ca2+.

Specifications

Synonyms

2, 2'-(Ethylenedioxy)triethyl ditosylate | 2-[2-(2-{2-[(4-Methylbenzenesulfonyl)oxy]-ethoxy}ethoxy)ethoxy]ethyl 4-methylbenzene-1-sulfonate | 2-[2-(2-{2-[(4-methylbenzenesulfonyl)oxy]ethoxy}ethoxy)ethoxy]ethyl 4-methylbenzene-1-sulfonate | Bis[2-(2-tosylox

Specifications & Purity

≥98%(HPLC)

Storage

Room temperature

Shipped In

Normal

Purity

≥98%(HPLC)

Names and Identifiers

• Pubchem Sid: 488194521
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488194521
• Canonical Smiles: CC1=CC=C(C=C1)S(=O)(=O)OCCOCCOCCOCCOS(=O)(=O)C2=CC=C(C=C2)C
• IUPAC Name: 2-[2-[2-[2-(4-methylphenyl)sulfonyloxyethoxy]ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate
• InChIKey: SLAONPBUWDUSSO-UHFFFAOYSA-N
• INCHI: 1S/C22H30O9S2/c1-19-3-7-21(8-4-19)32(23,24)30-17-15-28-13-11-27-12-14-29-16-18-31-33(25,26)22-9-5-20(2)6-10-22/h3-10H,11-18H2,1-2H3
• Isomeric SMILES: CC1=CC=C(C=C1)S(=O)(=O)OCCOCCOCCOCCOS(=O)(=O)C2=CC=C(C=C2)C
• WGK Germany: 3
• PubChem CID: 3706987
• Molecular Weight: 502.59
• Beilstein: 1610990
• Reaxy-Rn: 1610992

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzenesulfonic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzenesulfonic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzenesulfonate esters
• Alternative Parents: p-Methylbenzenesulfonates Tosyl compounds Benzenesulfonyl compounds Arylsulfonic acids and derivatives Organosulfonic acid esters Sulfonyls Dialkyl ethers Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzenesulfonate ester - P-methylbenzenesulfonate - Tosyl compound - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Toluene - Organosulfonic acid ester - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Dialkyl ether - Ether - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzenesulfonate esters. These are arenesulfonate esters that result from the formal condensation of the hydroxy group of an alcohol, enol, phenol or heteroarenol with benzenesulfonic acid.
• 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.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Refractive Index: 1.53
• Flash Point(°F): 230 °F
• Flash Point(°C): 110 °C
• Molecular Weight: 502.600 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 16
• Exact Mass: 502.133 Da
• Monoisotopic Mass: 502.133 Da
• Topological Polar Surface Area: 131.000 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 650.000
• 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