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.