Ethyl O-(2-mesitylenesulfonyl)acethydroxamate - ≥98% , CAS No.38202-27-6

CAS: 38202-27-6 Cat. No.: E140258 Molecular Weight: 285.36 Beilstein Registry Number: 2144156 EC Number: 253-825-5

GRADE & PURITY ≥98%

Synonyms

J-521272 | AKOS015843284 | Ethyl O-(2-mesitylenesulfonyl)acethydroxamate, 98% | DS-13518 | Ethyl O-(2-mesitylenesulfonyl)acethydroxamate | ethyl (1E)-N-(2,4,6-trimethylphenyl)sulfonyloxyethanimidate | (Z)-ethyl N-(mesitylsulfonyl)oxyacetimidate | LS-14234

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

It may be used in chemical synthesis studies.

Specifications

Synonyms

J-521272 | AKOS015843284 | Ethyl O-(2-mesitylenesulfonyl)acethydroxamate, 98% | DS-13518 | Ethyl O-(2-mesitylenesulfonyl)acethydroxamate | ethyl (1E)-N-(2, 4, 6-trimethylphenyl)sulfonyloxyethanimidate | (Z)-ethyl N-(mesitylsulfonyl)oxyacetimidate | LS-14234

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

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

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CCOC(=NOS(=O)(=O)C1=C(C=C(C=C1C)C)C)C
• IUPAC Name: ethyl (1E)-N-(2,4,6-trimethylphenyl)sulfonyloxyethanimidate
• InChIKey: KQCBSWBQAXTILK-WYMLVPIESA-N
• INCHI: 1S/C13H19NO4S/c1-6-17-12(5)14-18-19(15,16)13-10(3)7-9(2)8-11(13)4/h7-8H,6H2,1-5H3/b14-12+
• Isomeric SMILES: CCO/C(=N/OS(=O)(=O)C1=C(C=C(C=C1C)C)C)/C
• WGK Germany: 3
• Molecular Weight: 285.36
• Beilstein: 2144156
• Reaxy-Rn: 2144156
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2144156&ln=

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: p-Methylbenzenesulfonates
• Alternative Parents: Benzenesulfonyl compounds Arylsulfonic acids and derivatives Sulfonyls Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: P-methylbenzenesulfonate - Benzenesulfonyl group - Arylsulfonic acid or derivatives - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as p-methylbenzenesulfonates. These are benzenesulfonic acids (or derivative thereof) carrying a methyl group at the para- position.
• 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

• Sensitivity: Heat & Moisture sensitive
• Melt Point(°C): 56°C
• Molecular Weight: 285.360 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 285.103 Da
• Monoisotopic Mass: 285.103 Da
• Topological Polar Surface Area: 73.300 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 401.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1