(S)-(+)-2，2-Dimethyl-4-(hydroxymethyl)-1，3-dioxolane-p-toluenesulfonate - ≥97% , CAS No.23735-43-5

CAS: 23735-43-5 Cat. No.: S133752 Peso molecular: 286.34 Beilstein Registry Number: 19(5)2,373 Número EC: 624-409-4

GRADE & PURITY ≥97%

Synonyms

(S)-(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 4-methylbenzenesulfonate | GEO-01178 | ((4S)-2,2-dimethyl-1,3-dioxolan-4-yl)methyl 4-methylbenzenesulfonate | DTXSID90369097 | para-toluenesulfonic acid (S)-2,2-dimethyl-[1,3]dioxolan-4-yl-methyl ester | (S)-(2,2

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

(S)-(2, 2-dimethyl-1, 3-dioxolan-4-yl)methyl 4-methylbenzenesulfonate | GEO-01178 | ((4S)-2, 2-dimethyl-1, 3-dioxolan-4-yl)methyl 4-methylbenzenesulfonate | DTXSID90369097 | para-toluenesulfonic acid (S)-2, 2-dimethyl-[1, 3]dioxolan-4-yl-methyl ester | (S)-(2, 2

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 504760805
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504760805
• Sonrisas canónicas: CC1=CC=C(C=C1)S(=O)(=O)OCC2COC(O2)(C)C
• IUPAC Name: [(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl 4-methylbenzenesulfonate
• InChIKey: SRKDUHUULIWXFT-NSHDSACASA-N
• INCHI: 1S/C13H18O5S/c1-10-4-6-12(7-5-10)19(14,15)17-9-11-8-16-13(2,3)18-11/h4-7,11H,8-9H2,1-3H3/t11-/m0/s1
• Isómeros SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC[C@@H]2COC(O2)(C)C
• WGK Alemania: 3
• Peso molecular: 286.34
• Beilstein: 19(5)2,373
• Reaxy-Rn: 89801
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=89801&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 Ketals Organosulfonic acid esters Sulfonyls 1,3-dioxolanes Oxacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzenesulfonate ester - P-methylbenzenesulfonate - Tosyl compound - Benzenesulfonyl group - Arylsulfonic acid or derivatives - Ketal - Toluene - Organosulfonic acid ester - Meta-dioxolane - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Acetal - Oxacycle - Organoheterocyclic compound - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteromonocyclic 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

• Sensibilidad: Heat and moisture sensitive
• Punto de congelación (°C): 8° (C=2,DMF)
• Índice de refracción: 1.506
• Rotación específica [α]: 8° (C=2,DMF)
• Punto de inflamación (°F): 235.4 °F
• Punto de inflamación (°C): 113 °C
• Punto de fusión (°C): 25 °C
• Peso molecular: 286.350 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 286.087 Da
• Monoisotopic Mass: 286.087 Da
• Topological Polar Surface Area: 70.200 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 390.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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