2-Methyl-2-imidazoline - ≥97%(GC) , CAS No.534-26-9

CAS: 534-26-9 Cat. No.: M158525 Molecular Weight: 84.12 Beilstein Registry Number: 23(2)26 EC Number: 208-596-6

GRADE & PURITY ≥97%(GC)

Synonyms

Methylglyoxalidine | Z204020260 | 2-Methyl-.delta.2-imidazoline | EN300-25444 | BRN 0104225 | Lysidin | 1H-Imidazole, 4,5-dihydro-2-methyl- | 4-methyl-2-imidazoline | 2-Methyl-20imidazolin | AS-61384 | EINECS 208-596-6 | 2-METHYL-2-IMIDAZOLINE | A829579 |

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

2-Methyl-2-imidazoline is monomethyl derivative of imidazoline. The self-association of 2-methyl-2-imidazoline was studied in aqueous solution, at different pH values, by ultraviolet spectroscopy.
2-Methyl-2-imidazoline may be used in the synthesis of series of N,N,N′-trisubstituted ethylenediamine derivatives. It may be used in the preparation of 1-alkyl-2-methyl-2-imidazolines, via alkylation with organic halides in the presence of phase transfer catalysis and absence of solvent.

application：

Reactant for:

Synthesis of cyclic-amine-based dithiocarbamate chain transfer agents for RAFT polymerization

Dehydration reactions

Synthesis of push-pull alkenes

Producing organic reductants for transfer hydrogenation

Synthesis of orally available factor Xa inhibitors

2-Methyl-2-imidazoline may be used in the synthesis of series of N,N,N′-trisubstituted ethylenediamine derivatives. It may be used in the preparation of 1-alkyl-2-methyl-2-imidazolines, via alkylation with organic halides in the presence of phase transfer catalysis and absence of solvent.

Specifications

Synonyms

Methylglyoxalidine | Z204020260 | 2-Methyl-.delta.2-imidazoline | EN300-25444 | BRN 0104225 | Lysidin | 1H-Imidazole, 4,5-dihydro-2-methyl- | 4-methyl-2-imidazoline | 2-Methyl-20imidazolin | AS-61384 | EINECS 208-596-6 | 2-METHYL-2-IMIDAZOLINE | A829579 |

Specifications & Purity

≥97%(GC)

Storage

Argon charged,Room temperature

Shipped In

Normal

Purity

≥97%(GC)

Names and Identifiers

• Pubchem Sid: 488181186
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181186
• Canonical Smiles: CC1=NCCN1
• IUPAC Name: 2-methyl-4,5-dihydro-1H-imidazole
• InChIKey: VWSLLSXLURJCDF-UHFFFAOYSA-N
• INCHI: 1S/C4H8N2/c1-4-5-2-3-6-4/h2-3H2,1H3,(H,5,6)
• Isomeric SMILES: CC1=NCCN1
• WGK Germany: 3
• RTECS: NI4804995
• Molecular Weight: 84.12
• Beilstein: 23(2)26
• Reaxy-Rn: 104225
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=104225&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Imidolactams

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Imidolactams
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Imidolactams
• Alternative Parents: Imidazolines Propargyl-type 1,3-dipolar organic compounds Carboximidamides Carboxamidines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Imidolactam - 2-imidazoline - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Carboxylic acid amidine - Amidine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as imidolactams. These are cyclic organooxygen compounds containing the structure RC(=N)N where the central carbon atom and one of the linked nitrogen atoms are part of the same ring( R here is an organyl group). They can also be viewed as analogs of lactams where the oxygen atom is replaced by a nitrogen atom.
• 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

Associated Targets(Human)

QPCT Tchem Glutaminyl-peptide cyclotransferase (1121 Activities)

Discover Target: QPCT

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in water, alcohol, chloroform；
• Sensitivity: Hygroscopic
• Boil Point(°C): 130°C
• Melt Point(°C): 104 °C
• Molecular Weight: 84.120 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 84.0687 Da
• Monoisotopic Mass: 84.0687 Da
• Topological Polar Surface Area: 24.400 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 75.600
• 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. Jinfu Hou, Yongqi Jian, Chengjie Chen, Dengke Zhang, Fangyan Xie, Jian Chen, Yanshuo Jin, Nan Wang, Xiang Yu, Hui Meng.  (2024)  Modulating the Fe spin state in FeNC catalysts by Ru nanoparticles to facilitate the oxygen reduction reaction.  Materials Chemistry Frontiers,  8  (14): (2592-2598).  [PMID:] [10.1039/D4QM00282B]