2,3-dimethoxybenzaldehyde

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:86-51-1

mdl number:mfcd00003309

einecs number:201-677-7

rtecs number:cu5732000

brn number:908264

pubchem number:24893406

physical property data

1. character:white crystal

2. density (g/ml,25/4℃): undetermined

3. relative vapor density (g/ml,air=1): undetermined

4. melting point (ºc):48-52℃

5. boiling point (ºc,normal pressure): 137℃(ºc,12 mmhg)

6. boiling point (ºc,5.2kpa): undetermined

7. refractive index: undetermined

8. flashpoint (ºc):> 110℃

9. specific optical rotation (º): undetermined

10. autoignition point or ignition temperature (ºc): undetermined

11. 1. molar refractive index:46.36

2. molar volume (m³/mol）：149.1

3. isotonic specific volume (90.2k):365.6

4. surface tension (dyne/cm):36.1

5. polarizability（10^-24cm³):18.37

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: 3

5. number of tautomers: none

6. topological molecule polar surface area 35.5

7. number of heavy atoms: 12

8. surface charge: 0

9. complexity: 147

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

sealed at4℃save dry and protected from light

synthesis method

by2-methoxy-3-hydroxybenzaldehyde (ortho-vanillaldehyde) is obtained by reacting with dimethyl sulfate.

purpose

this product is organic synthetic intermediate, used in the pharmaceutical industry to synthesize berberine, etc.

number of stereocenters of chemical bonds: 0

15. number of covalent bond units: 1

properties and stability

none yet

storage method

sealed at4℃save dry and protected from light

synthesis method

by2-methoxy-3-hydroxybenzaldehyde (ortho-vanillaldehyde) is obtained by reacting with dimethyl sulfate.

purpose

this product is organic synthetic intermediate, used in the pharmaceutical industry to synthesize berberine, etc.