3,3,5,5-Tetramethyl-1-pyrroline N-Oxide(TMPO) - ≥98%(GC) , CAS No.10135-38-3

CAS: 10135-38-3 Cat. No.: T162332 Molecular Weight: 141.21 Beilstein Registry Number: 20(3/4)1977 EC Number: 678-633-2 PubChem CID: 151490

GRADE & PURITY ≥98%(GC)

Synonyms

NSC78027 | NSC-78027 | 2,2,4,4-Tetramethyl-3,4-dihydro-2H-pyrrole 1-oxide | 3,3,5,5-Tetramethyl-1-pyrroline N-oxide, 95% | AKOS015842131 | AS-69311 | DTXSID10143871 | SCHEMBL1420817 | 2,2,4,4-tetramethyl-1-oxido-3H-pyrrol-1-ium | 3,3,5,5-Tetramethyl-1-pyr

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

NSC78027 | NSC-78027 | 2, 2, 4, 4-Tetramethyl-3, 4-dihydro-2H-pyrrole 1-oxide | 3, 3, 5, 5-Tetramethyl-1-pyrroline N-oxide, 95% | AKOS015842131 | AS-69311 | DTXSID10143871 | SCHEMBL1420817 | 2, 2, 4, 4-tetramethyl-1-oxido-3H-pyrrol-1-ium | 3, 3, 5, 5-Tetramethyl-1-pyr

Specifications & Purity

≥98%(GC)

Storage

Store at 2-8°C, Protected from light, Argon charged

Shipped In

Wet ice

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

Purity

≥98%(GC)

Names and Identifiers

• Canonical Smiles: CC1(CC([N+](=C1)[O-])(C)C)C
• IUPAC Name: 2,2,4,4-tetramethyl-1-oxido-3H-pyrrol-1-ium
• InChIKey: GUQARRULARNYQZ-UHFFFAOYSA-N
• INCHI: 1S/C8H15NO/c1-7(2)5-8(3,4)9(10)6-7/h6H,5H2,1-4H3
• Isomeric SMILES: CC1(CC([N+](=C1)[O-])(C)C)C
• WGK Germany: 3
• PubChem CID: 151490
• Molecular Weight: 141.21
• Beilstein: 20(3/4)1977
• Reaxy-Rn: 111506

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyrrolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyrrolines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrrolines
• Alternative Parents: Nitrones Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Pyrroline - Nitrone - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as pyrrolines. These are compounds containing a pyrroline ring, which is a five-member unsaturated aliphatic ring with one nitrogen atom and four carbon atoms.
• 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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Light Sensitive,Hygroscopic,Heat Sensitive
• Boil Point(°C): 73 °C/1 mmHg
• Melt Point(°C): 61 °C
• Molecular Weight: 141.210 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 141.115 Da
• Monoisotopic Mass: 141.115 Da
• Topological Polar Surface Area: 28.800 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 180.000
• 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

References

1. Yang Zhao, Biao Ma, Xiaomei Liu, Ning Li, Yang Li, Xiaobin Fan, Wenchao Peng.  (2023)  Microwave and template assisted synthesis of atomically dispersed Co–N2 sites on carbon spheres for Fenton-like reaction.  CARBON,      [PMID:] [10.1016/j.carbon.2023.118371]