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

CAS: 534-26-9 Cat. No.: M158525 Formule: C₄H₈N₂ Poids moléculaire: 84.12 Beilstein Registry Number: 23(2)26 Numéro CE: 208-596-6

QUALITÉ & PURETÉ ≥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

Room temperature,Argon charged

Shipped In

Normal

Vue d’ensemble

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.

Spécifications

Synonymes

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 |

Spécifications et pureté

≥97%(GC)

Conditions de stockage de stockage

Room temperature,Argon charged

Expédié en

Normal

Pureté

≥97%(GC)

Noms et identifiants

Pubchem Sid

488181186

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488181186

Sourires canoniques

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)

Isomères SMILES

CC1=NCCN1

WGK Allemagne

3

RTECS

NI4804995

Poids moléculaire

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
    • Classe Imidolactams

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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

Cibles associées (humaines)

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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Soluble in water, alcohol, chloroform；
• Sensibilité: Hygroscopic
• Point d'ébullition (°C): 130°C
• Point de fusion (°C): 104 °C
• Poids moléculaire: 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

Foire aux questions

What is the purity of this product, and how is it determined?

This product is supplied at ≥97% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 534-26-9, the molecular formula is C4H8N2, and the molecular weight is 84.12 g/mol. InChIKey VWSLLSXLURJCDF-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.