Structural formula
| Business number | 01R4 |
|---|---|
| Molecular formula | C8H10O3S |
| Molecular weight | 186.23 |
| label |
4-Methyl toluenesulfonate |
Numbering system
CAS number:80-48-8
MDL number:MFCD00008417
EINECS number:201-283-5
RTECS number:XT7000000
BRN number:609209
PubChem number:24889277
Physical property data
1. Characteristics: white crystal.
2. Density (g/mL,25/4℃)：1.231（20/4℃)
3. Relative vapor density (g/mL,Air=1): Unsure
4. Melting point (ºC):28 -29℃
5. Boiling point (ºC,Normal pressure):292℃
6. Boiling point (ºC):146 -147℃（1.2 kPa)
7. Refractive index: Uncertain
8. Flash Point (ºC): Unsure
9. Specific optical rotation (º): Unsure
10. Autoignition point or ignition temperature (ºC): Unsure
11. Vapor pressure (Molar refractive index:46.56
2. Molar Volume (m3/mol）：153.8
3. isotonic specific volume (90.2K):381.9
4. Surface Tension (dyne/cm):37.9
5. Polarizability（10-24cm3):18.45
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: 3
4. Number of rotatable chemical bonds: 2
5. Number of tautomers: none
6. Topological molecule polar surface area 51.8
7. Number of heavy atoms: 12
8. Surface charge: 0
9. Complexity: 219
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
None yet
Storage method
This product should be sealedShadySave.
Synthesis method
It is derived from the reaction of p-toluenesulfonyl chloride and methanol. Mix p-toluenesulfonyl chloride and methanol and slowly add 25%sodium hydroxide solution, the temperature is controlled at25℃, to pHis 9, stop adding alkali and continue stirring2h, leave overnight. Remove the reactants from the lower layer, extract the upper layer with benzene, recover the benzene from the extract and combine it with the lower layer, then use water and 5%Wash with potassium carbonate solution, dry and distill under reduced pressure to obtain the finished product.
Purpose
Used as a selective methylation reagent in organic synthesis.
FengShadowSave.
Synthesis method
It is derived from the reaction of p-toluenesulfonyl chloride and methanol. Mix p-toluenesulfonyl chloride and methanol and slowly add 25%sodium hydroxide solution, the temperature is controlled at25℃, to pHis 9, stop adding alkali and continue stirring2h, leave overnight. Remove the reactants from the lower layer, extract the upper layer with benzene, recover the benzene from the extract and combine it with the lower layer, then use water and 5%Wash with potassium carbonate solution, dry and distill under reduced pressure to obtain the finished product.
Purpose
Used as a selective methylation reagent in organic synthesis.
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