3-(4-hydroxyphenyl)prop-2-ynoic Acid

Base Information

• Chemical Name: 3-(4-hydroxyphenyl)prop-2-ynoic Acid
• CAS No.: 78589-65-8
• Molecular Formula: C9H6O3
• Molecular Weight: 162.145
• DSSTox Substance ID: DTXSID70443940
• Nikkaji Number: J979.202C
• Wikidata: Q82261935
• Mol file: 78589-65-8.mol

Synonyms:3-(4-hydroxyphenyl)prop-2-ynoic Acid;78589-65-8;2-Propynoic acid, 3-(4-hydroxyphenyl)-;(4-hydroxyphenyl)propynoic acid;4-Hydroxyphenylpropiolic acid;SCHEMBL6653836;DTXSID70443940;MRULQDAIEXRSFI-UHFFFAOYSA-N;AKOS029459180;(4-HYDROXY-PHENYL)-PROPYNOICACID;NS-01277;(4-HYDROXY-PHENYL)-PROPYNOIC ACID;EN300-743506

Chemical Property of 3-(4-hydroxyphenyl)prop-2-ynoic Acid

Chemical Property:

• PSA: 57.53000
• LogP: 0.82830
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 162.031694049
• Heavy Atom Count: 12
• Complexity: 225

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C#CC(=O)O)O

Technology Process of 3-(4-hydroxyphenyl)prop-2-ynoic Acid

There total 24 articles about 3-(4-hydroxyphenyl)prop-2-ynoic 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: 93.0%

methyl (4-hydroxyphenyl)propynoate (136634-54-3) → 3-(4-hydroxyphenyl)prop-2-yn-1-oic acid (78589-65-8)

Guidance literature:

methyl (4-hydroxyphenyl)propynoate; With sodium hydroxide; water; In methanol; at 50 ℃; for 2h;

With hydrogenchloride; In methanol; water;

Reference yield: 60.0%

carbon dioxide (124-38-9,18923-20-1) + 4-ethynylphenol (2200-91-1) → 3-(4-hydroxyphenyl)prop-2-yn-1-oic acid (78589-65-8)

Guidance literature:

With n-butyllithium;

Reference yield:

(4-Hydroxy-phenyl)-propynoic acid 2,4-dinitro-phenyl ester (207449-90-9) → 2,4-Dinitrophenol (51-28-5) + 3-(4-hydroxyphenyl)prop-2-yn-1-oic acid (78589-65-8)

Guidance literature:

With potassium chloride; In 1,4-dioxane; water; at 25 - 44.5 ℃; Kinetics; Mechanism; Thermodynamic data; ΔH(act.), ΔS(act.) at pH 10.25;

upstream raw materials:

carbon dioxide

1,1-dibromo-2-(4-hydroxyphenyl)ethylene

3-(4-Acetoxy-phenyl)-propynoic acid methyl ester

3-(4-tert-butyldimethylsilyloxyphenyl)propiolic acid

Downstream raw materials:

3-(4-((3-phenoxyphenyl)methoxy)phenyl)propiolic acid amide

3-(4-hydroxyphenyl)propiolic acid amide

5-(4-((3-phenoxyphenyl)methoxy)phenyl)isothiazol-3-ol 1-oxide

5-(4-((3-phenoxyphenyl)methoxy)phenyl)isothiazol-3-ol