1,2-Bis(tosyloxy)ethane - ≥99%(HPLC) , CAS No.6315-52-2

CAS: 6315-52-2 Cat. No.: B137651 Formula: C₁₆H₁₈O₆S₂ Peso molecolare: 370.43 Beilstein Registry Number: 11(4)296 Numero EC: 613-165-4

GRADE & PURITY ≥99%(HPLC)

Synonyms

1,2-Bis(p-tolylsulfonyloxy)ethane | C16H18O6S2 | 1,2-bis(4-methylbenzenesulfonyloxy)ethane | 2-Hydroxy-1-(hydroxymethyl)ethyl stearate # | LR4Q2PMD62 | 1,2-ethanediol bistosylate | 1,2-Bis(tosyloxy)ethane | BBL104204 | Ethane-1,2-diyl bis(4-methylbenzenes

Storage

Room temperature

Shipped In

Normal

Panoramica

It has been used in the synthesis of:1.cyclohexyl-fused 1,4,7-triazacyclononane;2.1,2-ethylenecalix[6]arene, 1,3- and 1,4-calix[6]crown-3, 1,3- and 1,4-calix[6]crown-4, 1,4-calix[6]benzocrown-4, 1,2- and 1,3-calix[6]crown-5.

Specifications

Sinonimi

1,2-Bis(p-tolylsulfonyloxy)ethane | C16H18O6S2 | 1,2-bis(4-methylbenzenesulfonyloxy)ethane | 2-Hydroxy-1-(hydroxymethyl)ethyl stearate # | LR4Q2PMD62 | 1,2-ethanediol bistosylate | 1,2-Bis(tosyloxy)ethane | BBL104204 | Ethane-1,2-diyl bis(4-methylbenzenes

Specifiche e purezza

≥99%(HPLC)

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥99%(HPLC)

Nomi e identificatori

Pubchem Sid

488188789

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488188789

Sorrisi canonici

CC1=CC=C(C=C1)S(=O)(=O)OCCOS(=O)(=O)C2=CC=C(C=C2)C

IUPAC Name

2-(4-methylphenyl)sulfonyloxyethyl 4-methylbenzenesulfonate

InChIKey

LZIPBJBQQPZLOR-UHFFFAOYSA-N

INCHI

1S/C16H18O6S2/c1-13-3-7-15(8-4-13)23(17,18)21-11-12-22-24(19,20)16-9-5-14(2)6-10-16/h3-10H,11-12H2,1-2H3

Isomeri SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCOS(=O)(=O)C2=CC=C(C=C2)C

WGK Germania

3

Peso molecolare

370.43

Beilstein

11(4)296

Reaxy-Rn

2399520

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2399520&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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 Organooxygen compounds 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 - Organic oxide - Organosulfur compound - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Descrizione: 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

Proprietà chimiche e fisiche

• Solubilità: Slightly soluble in water
• Punto di fusione (°C): 128 °C
• Peso molecolare: 370.400 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 370.054 Da
• Monoisotopic Mass: 370.054 Da
• Topological Polar Surface Area: 104.000 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 517.000
• 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