Methyl p-toluenesulfonate Methyl p-toluenesulfonate

Structural formula

• 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: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.

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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.