4-Hydroxyphenoxyacetic acid

Base Information

• Chemical Name: 4-Hydroxyphenoxyacetic acid
• CAS No.: 1878-84-8
• Molecular Formula: C8H8 O4
• Molecular Weight: 168.149
• Hs Code.: 29189990
• European Community (EC) Number: 217-525-8
• DSSTox Substance ID: DTXSID7062033
• Nikkaji Number: J199.695I
• Wikidata: Q27105517
• Metabolomics Workbench ID: 67650
• ChEMBL ID: CHEMBL297343
• Mol file: 1878-84-8.mol

Synonyms:(4-hydroxyphenoxy)acetic acid;4-hydroxyphenoxyacetic acid

Chemical Property of 4-Hydroxyphenoxyacetic acid

Chemical Property:

• Appearance/Colour: off-white to beige fine crystalline powder
• Vapor Pressure: 3.27E-06mmHg at 25°C
• Melting Point: 154-157 °C(lit.)
• Boiling Point: 372.6°Cat760mmHg
• Flash Point: 158.3°C
• PSA: 66.76000
• Density: 1.367g/cm³
• LogP: 0.85560
• Solubility.: soluble in Methanol
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 168.04225873
• Heavy Atom Count: 12
• Complexity: 149

Purity/Quality:

97% ^*data from raw suppliers

2-(4-Hydroxyphenoxy)aceticAcid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Organic Acids
• Canonical SMILES: C1=CC(=CC=C1O)OCC(=O)O
• Uses: 2-(4-Hydroxyphenoxy)acetic Acid is used in the design, synthesis and evaluation of postulated transient intermediate and substrate analogues as inhibitors of 4-hyroxyphenylpyruvate dioxygenase. Acts as a reagent in the preparation, anti-HIV and kinesin Eg5 inhibitory activities, QSAR, and modeling studies of triazolothiadiazole and triazolothiadiazine derivatives. Synthesis of thiadiazolotriazin-4-ones and study of their mosquito-larvicidal and antibacterial properties.

Technology Process of 4-Hydroxyphenoxyacetic acid

There total 16 articles about 4-Hydroxyphenoxyacetic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 25.0%

4-Chlorophenoxyacetic acid (122-88-3) + tert-Butyl acrylate (1663-39-4,25232-27-3) → (4-hydroxyphenoxy)acetic acid (1878-84-8) + C14H18O3 + C14H20O3 + 2-phenoxyacetic acid (122-59-8) + phenol (108-95-2,27073-41-2)

Guidance literature:

In aq. phosphate buffer; acetone; for 1h; pH=7.3; Irradiation;

DOI:10.1002/chem.202200313

Reference yield: 10.0%

4-Chlorophenoxyacetic acid (122-88-3) → (4-hydroxyphenoxy)acetic acid (1878-84-8) + 1,2-diphenoxyethane (104-66-5) + 2-phenoxyacetic acid (122-59-8) + phenol (108-95-2,27073-41-2)

Guidance literature:

In aq. phosphate buffer; for 1.5h; pH=7.3; Irradiation;

DOI:10.1002/chem.202200313

Reference yield: 5.0%

4-Chlorophenoxyacetic acid (122-88-3) → 2-Phenoxyethanol (122-99-6,56257-90-0,9004-78-8) + (4-hydroxyphenoxy)acetic acid (1878-84-8) + 2-phenoxyacetic acid (122-59-8) + phenol (108-95-2,27073-41-2)

Guidance literature:

In methanol; aq. phosphate buffer; for 1.5h; pH=7.3; Irradiation;

DOI:10.1002/chem.202200313

upstream raw materials:

2-(4-methoxyphenoxy)acetic acid

2-(4-Benzyloxyphenoxy)ethanoic acid

chloroacetic acid

arbutin

Downstream raw materials:

3-bromo-4-hydroxyphenoxyacetic acid

4-(5-chloro-benzothiazol-2-ylmethoxy)-phenol

methyl 2-(4-hydroxyphenoxy)acetate

2-(4-hydroxyphenoxy)acetyl chloride