1-methyl-2-pyridone

Structural formula

Business number	07AE
Molecular formula	C6H7NO
Molecular weight	109.13
label	heterocyclic compounds, Organic synthetic raw materials

• Numbering system
• Physical property data
• Toxicological data
• Ecological data
• Molecular structure data
• Computing chemical data
• More
  • Properties and Stability
  • Storage method
  • Synthesis method
  • Purpose

Numbering system

CAS number:694-85-9

MDL number:MFCD00006520

EINECS number:211-777-2

RTECS number:UV1148100

BRN number:107805

PubChem number:24897190

Physical property data

1. Character: liquid.

2. Density (g/mL,25/4℃): 1.129

3. Relative vapor density (g/mL,AIR=1): Undetermined

4. Melting point (ºC): 30-32

5. Boiling point (ºC,Normal pressure): 249-251

6. Boiling point (ºC,5.2kPa): Undetermined

7. Refractive index: 1.569

8. Flash point (ºC): Undetermined

9. Specific optical rotation (º): Undetermined

10. Autoignition point or ignition temperature (ºC): Undetermined

11. Vapor pressure (kPa,25ºC): Undetermined

12. Saturated vapor pressure (kPa,60ºC): Undetermined

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Oil and water (octanol/Logarial value of the partition coefficient of water: undetermined

17. Explosion limit (%,V/V): Undetermined

18. Lower explosion limit (%,V/V): Undetermined

19. Solubility: Undetermined .

Toxicological data

1, acute toxicity: Quail (oral) LD50: 421 mg/kg
Since the LD50 of table salt is 3,000 mg/kg, BPA is The degree of acute toxicity is the same as that of table salt.

Ecological data

If it is slightly harmful to water, do not Allow undiluted or large amounts of product to come into contact with groundwater, waterways or sewage systems. Do not release material into the environment without government permission.

Molecular structure data

1. Molar refractive index: 30.67

2. Molar Volume （m ³/mol）：100.5

3. isotonic ratio（90.2K）：247.3

4. Surface Tension（dyne/cm）：36.5

5. Dielectric constant:

6. Dipole moment（10 ^-24cm³)：

7. Polarizability: 12.15

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 1

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: none

6. Topological molecule polar surface area 20.3

7. Number of heavy atoms: 8

8. Surface charge: 0

9. Complexity: 158

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

Keep away from oxides.

Storage method

Store in an airtight container and place Store in a cool, dry place. Store away from oxidizing agents.

Synthesis method

React pyridine and dimethyl sulfate to form a salt, add potassium ferricyanide solution and sodium hydroxide solution, the adding temperature does not exceed10℃, place5h, the temperature rises to room temperature. Add anhydrous sodium carbonate with stirring until 1-Methyl-2-The pyridone salts out from the reaction mixture. Separate the precipitated oil layer to 65-70% The yield of the finished product is obtained.

Purpose

Used in organic synthesis.

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