structure of 2-Methylpyrimidine-4-carbaldehyde

2-Methylpyrimidine-4-carbaldehyde

CAS No.: 1004-17-7
M. Wt: 122.125
M. Fa: C6H6N2O
InChI Key: BXHGNAADUUXBKK-UHFFFAOYSA-N
Appearance: Yellow Solid

Names and Identifiers of 2-Methylpyrimidine-4-carbaldehyde

CAS Number

1004-17-7

MDL Number

MFCD09832936

IUPAC Name

2-methylpyrimidine-4-carbaldehyde

InChI

InChI=1S/C6H6N2O/c1-5-7-3-2-6(4-9)8-5/h2-4H,1H3

InChIKey

BXHGNAADUUXBKK-UHFFFAOYSA-N

Canonical SMILES

CC1=NC=CC(=N1)C=O

UNSPSC Code

12352100

Physical and chemical properties of 2-Methylpyrimidine-4-carbaldehyde

Acidity coefficient

0.16±0.23(Predicted)

Boiling Point

213.7±13.0 °C at 760 mmHg

Density

1.2±0.1 g/cm3

Exact Mass

122.048012

Flash Point

85.0±26.3 °C

Index of Refraction

1.569

LogP

0.50

Molecular Formula

C6H6N2O

Molecular Weight

122.125

PSA

42.85000

Storage condition

under inert gas (nitrogen or Argon) at 2-8°C

Vapour Pressure

0.2±0.4 mmHg at 25°C

Safety Information of 2-Methylpyrimidine-4-carbaldehyde

Pictograms

Signal Word

 Warning

Safety Data Sheet
Supports customized editing of SDS information and downloading in PDF documents.

Applications of 2-Methylpyrimidine-4-carbaldehyde

2-Methylpyrimidine-4-carbaldehyde finds applications across various fields:

  • Pharmaceuticals: It serves as an intermediate in the synthesis of biologically active compounds, particularly in drug development.
  • Agricultural Chemicals: The compound may be used in developing agrochemicals due to its potential biological activity.
  • Material Science: Its derivatives may play a role in creating new materials with specific properties.

The diverse applications underscore its significance in both industrial and research settings.

Interaction Studies of 2-Methylpyrimidine-4-carbaldehyde

Interaction studies involving 2-methylpyrimidine-4-carbaldehyde focus on its reactivity with different biological molecules. Research indicates that:

  • The compound may interact with enzymes, potentially leading to inhibition or modulation of enzymatic activity.
  • Its interactions with nucleic acids could influence biochemical pathways, although specific studies are required for detailed insights.

Understanding these interactions is crucial for evaluating its therapeutic potential and safety profile.

Physical sample testing spectrum (NMR) of 2-Methylpyrimidine-4-carbaldehyde

Physical sample testing spectrum (NMR) of 2-Methylpyrimidine-4-carbaldehyde

Retrosynthesis analysis of 2-Methylpyrimidine-4-carbaldehyde

  • Route#1

    Cas:175277-33-5
    Cas:1004-17-7