p-hydroxyphenylacetic acid

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:156-38-7

mdl number:mfcd00004347

einecs number:205-851-3

rtecs number:ai2680000

brn number:1448766

pubchem id:none

physical property data

1. properties: white crystalline powder.

2. melting point (ºc): 149-150

3. solubility: slightly soluble in water, soluble in ether, ethanol, ethyl acetate .

4. boiling point (ºc): 346.6

5. flash point (ºc): 177.6

6. relative density (d²⁰

sup>₄₎ ：1.319

toxicological data

on skin: irritation to skin and mucous membranes

on eyes: irritating effects

sensitization: no known sensitizing effects

ecological data

none

molecular structure data

1. molar refractive index: 39.24

2. molar volume (cm³/mol): 115.3

3. isotonic specific volume (90.2k ): 320.6

4. surface tension (dyne/cm): 59.8

5. dielectric constant: not available

6. dipole moment (10 ^-24cm³): not available

7. polarizability: 15.55

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): none

2. number of hydrogen bond donors: 2

3. number of hydrogen bond acceptors: 3

4. number of rotatable chemical bonds: 2

5. number of tautomers: 2

6. topological molecule polar surface area 57.5

7. number of heavy atoms: 11

8. surface charge: 0

9. complexity: 136

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

1. materials to avoid: oxides. hazardous decomposition products: carbon monoxide and carbon dioxide.

2. exist in flue-cured tobacco leaves, burley tobacco leaves, oriental tobacco leaves and smoke.

storage method

store in an airtight container and in a cool, dry place.

synthesis method

1.it is obtained by diazotization and hydrolysis of p-aminophenylacetic acid. prepare sodium salt of p-aminophenylacetic acid and alkali solution, then add sulfuric acid. cool to 0℃, control the temperature at 0-5℃, add sodium nitrate solution dropwise, and complete the reaction for 0.5h. . add the obtained diazo liquid dropwise to the dilute sulfuric acid at 90-95°c, complete the dripping in about 1 hour, and then continue the reaction for 1 hour. the reaction solution is decolorized, filtered, cooled and extracted with ethyl acetate. the finished product is obtained after recovering ethyl acetate from the extract. the yield is about 85%.

2.3-fluoro-p-hydroxyphenylacetic acid

2. tobacco: or, 41 ; fc, 54; bu, 26.

purpose

organic synthesis intermediate, used in the production of β-receptor blocker atenolol and the synthesis of 4,7-dihydroxyisoflavone, the active ingredient of kudzu daidzein; it can also be used as a pesticide intermediate.