SULFUR TRIOXIDE TRIMETHYLAMINE COMPLEX , CAS No.3162-58-1

CAS: 3162-58-1 Cat. No.: S189107 Molecular Weight: 139.17 EC Number: 221-614-7 PubChem CID: 222852

Synonyms

Sulfur trioxide trimethylamine | J-018497 | EINECS 241-729-6 | SCHEMBL284722 | Sulfur trioxide, compd. with trimethylamine (1:1) | FT-0634711 | Trimethylamine sulfur trioxide | EN300-227526 | Trimethylamine compound with sulfur trioxide | sulfonylideneoxi

Storage

Room temperature,Argon charged

Shipped In

Normal

Overview

Application Reactant for sulfation reactions involving: · Synthesis of sulfate-conjugated resveratrol metabolites · Chitooligosaccharides used for anti-HIV-1 activity · Dodecyl thioglycopyranoside used as a surfactant for enantiomeric separation · Glycosaminoglycans which facilitate activation of signaling pathways dependent on sulfation pattern · Polysaccharides as heparan sulfate mimetics Nucleophile for the synthesis of α-tosyloxy ketones

Reactant for sulfation reactions involving:

Synthesis of sulfate-conjugated resveratrol metabolites

Chitooligosaccharides used for anti-HIV-1 activity

Dodecyl thioglycopyranoside used as a surfactant for enantiomeric separation

Glycosaminoglycans which facilitate activation of signaling pathways dependent on sulfation pattern

Polysaccharides as heparan sulfate mimetics

Nucleophile for the synthesis of α-tosyloxy ketones

Specifications

Synonyms

Sulfur trioxide trimethylamine | J-018497 | EINECS 241-729-6 | SCHEMBL284722 | Sulfur trioxide, compd. with trimethylamine (1:1) | FT-0634711 | Trimethylamine sulfur trioxide | EN300-227526 | Trimethylamine compound with sulfur trioxide | sulfonylideneoxi

Storage

Room temperature, Argon charged

Shipped In

Normal

Names and Identifiers

• Pubchem Sid: 508811613
• Canonical Smiles: CN(C)C.O=S(=O)=O
• IUPAC Name: N,N-dimethylmethanamine;sulfur trioxide
• InChIKey: DXASQZJWWGZNSF-UHFFFAOYSA-N
• INCHI: 1S/C3H9N.O3S/c2*1-4(2)3/h1-3H3
• Isomeric SMILES: CN(C)C.O=S(=O)=O
• WGK Germany: 3
• PubChem CID: 222852
• Molecular Weight: 139.17

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass Amines
        • Level5 Tertiary amines
          • Level6 Trialkylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Tertiary amines
• Direct Parent: Trialkylamines
• Alternative Parents: Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Tertiary aliphatic amine - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as trialkylamines. These are organic compounds containing a trialkylamine group, characterized by exactly three alkyl groups bonded to the amino nitrogen.
• 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

• Solubility: Soluble in hot water and ethanol. Slightly soluble in dimethyl sulfoxide and methanol. Insoluble in water.
• Sensitivity: Moisture sensitive
• Melt Point(°C): 232 °C
• Molecular Weight: 139.180 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 139.03 Da
• Monoisotopic Mass: 139.03 Da
• Topological Polar Surface Area: 55.500 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 69.800
• 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: 2

XLogP3

References

1. Wenbo Du, Handou Zheng, Yinwu Li, Chi Shing Cheung, Donghui Li, Heng Gao, Huiyun Deng, Haiyang Gao.  (2022)  Neutral Tridentate α-Sulfonato-β-diimine Nickel Catalyst for (Co)polymerizations of Ethylene and Acrylates.  MACROMOLECULES,      [PMID:] [10.1021/acs.macromol.2c00268]