Structural formula
| Business number | 0281 |
|---|---|
| Molecular formula | C8H9NO |
| Molecular weight | 135.17 |
| label |
N-formyl o-toluidine, Carboxamido-o-toluene, 2-Methyl-N-formanilide, o-Formotoluidide, N-(2-Methylphenyl)formamide, N-Formyl-o-toluidide, HCONHC6H4CH3 |
Numbering system
CAS number:94-69-9
MDL number:MFCD00014122
EINECS number:202-355-9
RTECS number:None
BRN number:2205748
PubChem number:24881406
Physical property data
1. Properties: colorless liquid.
2. Density (g/mL, 20?): 1.0948
3. Relative vapor density (g/mL, air=1): Undetermined
4. Melting point (ºC): 14-15
5. Boiling point (ºC, normal pressure): 243
6. Boiling point (ºC, 2.0KPa): 128-129
7. Refractive index: 1.5589
8. Flash point (ºC): 126
9. Specific rotation (º): Undetermined
10. Autoignition point or ignition temperature (ºC): Undetermined
11. Vapor pressure (mmHg, 85ºC): Undetermined
12. Saturated vapor pressure (kPa , ºC): Undetermined
13. Heat of combustion (KJ/mol): Undetermined
14. Critical temperature (ºC): Undetermined
15 . Critical pressure (KPa): Undetermined
16. Log value of oil-water (octanol/water) distribution coefficient: Undetermined
17. Explosion upper limit (%, V/V ): Undetermined
18. Lower explosion limit (%, V/V): Undetermined
19. Solubility: Soluble in ethanol, ether and acetone, slightly soluble in water.
Toxicological data
None
Ecological data
None
Molecular structure data
1. Molar refractive index: 40.87
2. Molar volume (cm3/mol): 122.4 ±
3. Isotonic specific volume (90.2 K): 312.6
4. Surface tension (dyne/cm): 42.4
5. Polarizability (10-24cm3): 16.20
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 1
3. Number of hydrogen bond acceptors: 1
4. Number of rotatable chemical bonds: 1
5. Number of tautomers: 2
6. Topological molecule polar surface area 29.1
7. Number of heavy atoms: 10
8. Surface charge: 0
9. Complexity: 114
10. Number of isotope atoms: 0
11. Determine the atomic stereocenterQuantity: 0
12. Uncertain number of stereocenters of atoms: 0
13. Determined number of stereocenters of chemical bonds: 0
14. Uncertain chemical bonds Number of stereocenters: 0
15. Number of covalent bond units: 1
Properties and stability
None
Storage method
None
Synthesis method
1. Obtained from the reaction of N-formanilide and dimethyl sulfate. Mix N-formanilide and dimethyl sulfate, add potassium hydroxide solution dropwise while stirring and cooling, and control the temperature below 15°C. After the dropwise addition is completed, continue stirring for 1 hour at 20-25°C. The reaction mixture becomes slightly alkaline. Slowly add concentrated ammonia solution dropwise to decompose excess dimethyl sulfate. Then let it stand for layering, take the upper oil and distill it under reduced pressure, and collect the 130-133°C (2.13kPa) fraction, which is N-methylformanilide, with a yield of about 90%.
2. Obtained from the reaction of N-methylaniline and formic acid. Mix N-methylaniline, formic acid and toluene, heat and distill, and after steaming out the water, raise the temperature to 108-110°C to steam out the toluene. The residue is distilled under reduced pressure to obtain the finished product.
Purpose
Used as intermediates in organic synthesis.
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