Diethylene glycol di(p-toluenesulfonate) - ≥98% , CAS No.7460-82-4

CAS: 7460-82-4 Cat. No.: D119950 Peso molecular: 414.49 Beilstein Registry Number: 583800 Número EC: 628-596-3

GRADE & PURITY ≥98%

Synonyms

2-{2-[(4-methylbenzenesulfonyl)oxy]ethoxy}ethyl 4-methylbenzene-1-sulfonate | DIETHYLENE GLYCOL DI-P-TOLUENESULFONATE | CBMicro_047760 | Diethylene glycol di(p-toluenesulfonate) | Ethanol, 2,2'-oxybis-, bis(4-methylbenzenesulfonate) | Tos-PEG-Tos, MW 1,00

Storage

Room temperature

Shipped In

Normal

Application

227,228,229

Descripción general

Product Application：

Diethylene glycol di(p-toluenesulfonate) was used in the synthesis of bis(dibenzosulfoxo)-27,30,35,38-tetramethyl-24-crown-6, bis(dibenzosulfoxo)-21,24,29,32-tetramethyl-18-crown-4, dibenzosulfoxo-15,18-dimethyl-12-crown-3 and dibenzosulfoxo-12,15-dimethyl-9-crown-2 macrocycles.

Specifications

Sinónimos

2-{2-[(4-methylbenzenesulfonyl)oxy]ethoxy}ethyl 4-methylbenzene-1-sulfonate | DIETHYLENE GLYCOL DI-P-TOLUENESULFONATE | CBMicro_047760 | Diethylene glycol di(p-toluenesulfonate) | Ethanol, 2, 2'-oxybis-, bis(4-methylbenzenesulfonate) | Tos-PEG-Tos, MW 1, 00

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488189466
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488189466
• Sonrisas canónicas: CC1=CC=C(C=C1)S(=O)(=O)OCCOCCOS(=O)(=O)C2=CC=C(C=C2)C
• IUPAC Name: 2-[2-(4-methylphenyl)sulfonyloxyethoxy]ethyl 4-methylbenzenesulfonate
• InChIKey: VYVPNTJBGPQTFA-UHFFFAOYSA-N
• INCHI: 1S/C18H22O7S2/c1-15-3-7-17(8-4-15)26(19,20)24-13-11-23-12-14-25-27(21,22)18-9-5-16(2)6-10-18/h3-10H,11-14H2,1-2H3
• Isómeros SMILES: CC1=CC=C(C=C1)S(=O)(=O)OCCOCCOS(=O)(=O)C2=CC=C(C=C2)C
• WGK Alemania: 3
• Peso molecular: 414.49
• Beilstein: 583800
• Reaxy-Rn: 583800
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=583800&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Punto de fusión (°C): 87°C
• Peso molecular: 414.500 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 10
• Exact Mass: 414.081 Da
• Monoisotopic Mass: 414.081 Da
• Topological Polar Surface Area: 113.000 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 562.000
• 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

Referencias

1. Fangmei Fu, Congcong Chen, Yutong Lin, Jiawei Lin, Pan Wang, Xiaoqin Ji, Lingling Mao.  (2025)  Engineering Efficient Circularly Polarized Luminescence in Copper(I) Iodides through Supramolecular Chirality Control.  CHEMISTRY OF MATERIALS,      [PMID:] [10.1021/acs.chemmater.5c02591]

2. Li Bingqian, Fu Chengyun, Yan Yufang, Henderson Mark Julian, Chen Xinyue, Zhu Shan, Yan Minhao.  (2026)  Efficient extraction of radium by DtBuCH18C6: performance and coordination study.  JOURNAL OF RADIOANALYTICAL AND NUCLEAR CHEMISTRY,      [PMID:] [10.1007/s10967-026-10827-x]