5441-40-7

Basic information

• Product Name: 2,5-Diaza-5-methylcycloheptanone
• Synonyms: 2,5-Diaza-5-methylcycloheptanone;1-METHYL-5-HOMOPIPERAZINONE;1-Methyl-5-hoMopiperazinone/1-Methyl-1,4-diazepan-5-one;5H-1,4-Diazepin-5-one,hexahydro-1-Methyl-
• CAS NO: 5441-40-7
• Molecular Formula: C₆H₁₂N₂O
• Molecular Weight: 128.17
• Mol File: 5441-40-7.mol

Chemical Properties

• Melting Point: 83-84 °C
• Boiling Point: 274.8°Cat760mmHg
• Flash Point: 120°C
• Appearance: /
• Density: 1.003g/cm³
• Vapor Pressure: 0.005mmHg at 25°C
• Refractive Index: 1.457
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: 16.24±0.20(Predicted)
• CAS DataBase Reference: 2,5-Diaza-5-methylcycloheptanone(CAS DataBase Reference)
• NIST Chemistry Reference: 2,5-Diaza-5-methylcycloheptanone(5441-40-7)
• EPA Substance Registry System: 2,5-Diaza-5-methylcycloheptanone(5441-40-7)

Safety Data

• Safety Statements: 24/25
• Hazardous Substances Data: 5441-40-7(Hazardous Substances Data)

Usage

Uses

Used in Organic Synthesis:
2,5-Diaza-5-methylcycloheptanone is used as a building block in organic synthesis for its ability to undergo multiple reactions, leading to the formation of a variety of chemical derivatives. Its structural features make it a key component in creating complex organic molecules.
Used in Coordination Chemistry:
In the field of coordination chemistry, 2,5-Diaza-5-methylcycloheptanone is utilized as a ligand, particularly in the formation of metal complexes. Its presence can influence the stability, reactivity, and properties of these complexes, making it an important factor in the design of new materials and catalysts.
Used in Pharmaceutical Development:
2,5-Diaza-5-methylcycloheptanone is also used as a starting material or intermediate in the development of pharmaceuticals. Its unique chemical properties allow it to be modified and incorporated into drug molecules, potentially leading to new treatments and therapies.
Used in the Production of Fine Chemicals:
2,5-Diaza-5-methylcycloheptanone finds application in the manufacture of fine chemicals, where its reactivity and ability to form derivatives are harnessed to produce high-quality specialty chemicals for various industries.

InChI:InChI=1/C6H12N2O/c1-8-4-2-6(9)7-3-5-8/h2-5H2,1H3,(H,7,9)

Upstream product

• 1445-73-4 1-Methyl-4-piperidone 
• 1515-27-1 1-methylpiperidin-4-one oxime 

Downstream Products

• 4318-37-0 1-Methylhomopiperazine 
• 117390-58-6 6-Methyl-3-phenyl-5,6,7,8-tetrahydro-4H-1,2,3a,6-tetraaza-azulene 
• 848-53-3 Homochlorcyclizine 

Relevant articles and documents

Selective heterocyclic amidine inhibitors of human inducible nitric oxide synthase

The potency and selectivity of a series of 5-hetero-2-iminohexahydroazepines were examined as inhibitors of the three human NOS isoforms. The effect of ring substitution of the 5-carbon for a heteroatom is presented. Potencies (IC50's) for these inhibitors are in the low micromolar range for hi-NOS with some examples exhibiting a 500× selectivity versus hec-NOS.