(R)-(+)-Methyl p-tolyl sulfoxide - ≥97% , CAS No.1519-39-7

CAS: 1519-39-7 Cat. No.: R474546 Molecular Weight: 154.23 Beilstein Registry Number: 2040680 EC Number: 604-821-0

GRADE & PURITY ≥97%

Synonyms

(R)-METHYL P-TOLYLSULFOXIDE | DTXSID00448185 | (R)-(+)-Methyl p-tolyl sulfoxide, 99% | FEVALTJSQBFLEU-SNVBAGLBSA-N | (R)-(+)-Methyl p-tolyl sulfoxide | (R)-(+)-methyl p-tolylsulfoxide | (R)-(+)-methyl rho-tolyl sulfoxide | J-008866 | 1-[(R)-METHANESULFINY

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

(R)-(+)-Methyl p-tolyl sulfoxide may be used to prepare (R)-(+)-methyl 3,5-dimethoxy-6-[8-oxo-9-(p-tolylsulfinyl) nonyl] benzoate, an intermediate for (R)-lasiodiplodin synthesis. Its anions undergo addition reaction with nitrones to form optically active a-substituted N-hydroxylamines.(R)-(+)-Methyl p-tolyl sulfoxide also reacts with O-mesitylsulfonylhydroxylamine (MSH) to form (-)-(R)-S-methyl-S-p-tolylsulfoximine.

Specifications

Synonyms

(R)-METHYL P-TOLYLSULFOXIDE | DTXSID00448185 | (R)-(+)-Methyl p-tolyl sulfoxide, 99% | FEVALTJSQBFLEU-SNVBAGLBSA-N | (R)-(+)-Methyl p-tolyl sulfoxide | (R)-(+)-methyl p-tolylsulfoxide | (R)-(+)-methyl rho-tolyl sulfoxide | J-008866 | 1-[(R)-METHANESULFINY

Specifications & Purity

≥97%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CC1=CC=C(C=C1)S(=O)C
• IUPAC Name: 1-methyl-4-[(R)-methylsulfinyl]benzene
• InChIKey: FEVALTJSQBFLEU-SNVBAGLBSA-N
• INCHI: 1S/C8H10OS/c1-7-3-5-8(6-4-7)10(2)9/h3-6H,1-2H3/t10-/m1/s1
• Isomeric SMILES: CC1=CC=C(C=C1)[S@](=O)C
• WGK Germany: 3
• Molecular Weight: 154.23
• Beilstein: 2040680
• Reaxy-Rn: 1906006
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1906006&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Phenyl sulfoxides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Phenyl sulfoxides
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenyl sulfoxides
• Alternative Parents: Toluenes Sulfoxides Sulfinyl compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenyl sulfoxide - Toluene - Sulfoxide - Sulfinyl compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenyl sulfoxides. These are organosulfur compounds containing a sulfoxide group substituted with a phenyl group.
• 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

• Specific Rotation[α]: [α]20/D +145°, c = 2 in acetone
• Melt Point(°C): 73-75 °C
• Molecular Weight: 154.230 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 154.045 Da
• Monoisotopic Mass: 154.045 Da
• Topological Polar Surface Area: 36.300 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 125.000
• 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