N-Tosylaziridine - ≥98% , CAS No.3634-89-7

CAS: 3634-89-7 Cat. No.: N136278 Molecular Weight: 197.258 Beilstein Registry Number: 154388 EC Number: 627-169-9

GRADE & PURITY ≥98%

Synonyms

4-[6-[4-(1-Methylethoxy)phenyl]pyra zolo[1,5-a]pyrimidin-3-yl]-quinoline | AKOS000278720 | MFCD00188412 | SCHEMBL699639 | tosylaziridine | 1-[(4-methylbenzene)sulfonyl]aziridine | UPCMLD0ENAT5325230:001 | 1-Tosylaziridine | N-Tosylaziridine, 98% | 1-(4-me

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

Reagent for beta-aminoethylation

Specifications

Synonyms

4-[6-[4-(1-Methylethoxy)phenyl]pyra zolo[1, 5-a]pyrimidin-3-yl]-quinoline | AKOS000278720 | MFCD00188412 | SCHEMBL699639 | tosylaziridine | 1-[(4-methylbenzene)sulfonyl]aziridine | UPCMLD0ENAT5325230:001 | 1-Tosylaziridine | N-Tosylaziridine, 98% | 1-(4-me

Specifications & Purity

≥98%

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

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

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504759265
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504759265
• Canonical Smiles: CC1=CC=C(C=C1)S(=O)(=O)N2CC2
• IUPAC Name: 1-(4-methylphenyl)sulfonylaziridine
• InChIKey: VBNWSEVVMYMVLC-UHFFFAOYSA-N
• INCHI: 1S/C9H11NO2S/c1-8-2-4-9(5-3-8)13(11,12)10-6-7-10/h2-5H,6-7H2,1H3
• Isomeric SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CC2
• WGK Germany: 3
• Molecular Weight: 197.258
• Beilstein: 154388
• Reaxy-Rn: 154388
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=154388&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Toluenes
        • Level5 Tosyl compounds
          • Level6 P-toluenesulfonamides
            • Level7 N,N-disubstituted p-toluenesulfonamides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Toluenes
• Intermediate Tree Nodes: Tosyl compounds - P-toluenesulfonamides
• Direct Parent: N,N-disubstituted p-toluenesulfonamides
• Alternative Parents: Benzenesulfonamides Benzenesulfonyl compounds Organosulfonamides Sulfonyls Aziridines Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: N,n-disubstituted p-toluenesulfonamide - Benzenesulfonamide - Benzenesulfonyl group - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aziridine - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organosulfur compound - Organonitrogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as n,n-disubstituted p-toluenesulfonamides. These are p-toluenesulfonamide derivatives in which the sulfonamide moiety is N,N-disubstituted.
• 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

• Melt Point(°C): 63- 65°C
• Molecular Weight: 197.260 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 197.051 Da
• Monoisotopic Mass: 197.051 Da
• Topological Polar Surface Area: 45.500 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 268.000
• 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