3-Ethoxy-4-hydroxyphenylacetic acid

Base Information

• Chemical Name: 3-Ethoxy-4-hydroxyphenylacetic acid
• CAS No.: 80018-50-4
• Molecular Formula: C10H12O4
• Molecular Weight: 196.2
• Hs Code.: 2918990090
• European Community (EC) Number: 616-789-5
• DSSTox Substance ID: DTXSID20335048
• Nikkaji Number: J990.430A
• Wikidata: Q82101155
• Mol file: 80018-50-4.mol

Synonyms:3-Ethoxy-4-hydroxyphenylacetic acid;80018-50-4;2-(3-ethoxy-4-hydroxyphenyl)acetic acid;3-Ethoxy-4-hydroxybenzeneacetic acid;Benzenacetic acid, 3-ethoxy-4-hydroxy-;Benzeneacetic acid, 3-ethoxy-4-hydroxy-;SCHEMBL1878990;DTXSID20335048;MFCD00016835;AKOS006223402;GS-6167;CS-0299298;FT-0641744;2-(3-ethoxy-4-oxidanyl-phenyl)ethanoic acid;E-5900;H10405;3-ethoxy-4-hydroxyphenylacetic acid, AldrichCPR;EN300-1843119;A839807

Chemical Property of 3-Ethoxy-4-hydroxyphenylacetic acid

Chemical Property:

• Vapor Pressure: 2.46E-06mmHg at 25°C
• Melting Point: 90-92 °C
• Refractive Index: 1.562
• Boiling Point: 376.4 °C at 760 mmHg
• Flash Point: 151 °C
• PSA: 66.76000
• Density: 1.259 g/cm³
• LogP: 1.41800
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 196.07355886
• Heavy Atom Count: 14
• Complexity: 193

Purity/Quality:

98%min ^*data from raw suppliers

3-Ethoxy-4-hydroxyphenylaceticAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38-36
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1=C(C=CC(=C1)CC(=O)O)O

Technology Process of 3-Ethoxy-4-hydroxyphenylacetic acid

There total 3 articles about 3-Ethoxy-4-hydroxyphenylacetic 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: 64.0%

methyl 2-(3-ethoxy-1-methyloxycarbonyl-4-oxo-2,5-cyclohexadienyl)acetate (358742-92-4) → [3-(ethyloxy)-4-hydroxyphenyl]acetic acid (80018-50-4)

Guidance literature:

With sodium hydroxide; In ethanol; water; at 20 ℃; for 6h;

DOI:10.1081/SCC-100000539

Reference yield:

3-ethoxy-4-hydroxymandelic acid (39549-22-9) → [3-(ethyloxy)-4-hydroxyphenyl]acetic acid (80018-50-4)

Guidance literature:

With hydrogenchloride; stannous chloride;

DOI:10.1016/j.bmcl.2021.128497

Reference yield:

2-Ethoxyphenol (94-71-3) → [3-(ethyloxy)-4-hydroxyphenyl]acetic acid (80018-50-4)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium hydroxide

2: stannous chloride; hydrogenchloride

With hydrogenchloride; stannous chloride; sodium hydroxide;

DOI:10.1016/j.bmcl.2021.128497

upstream raw materials:

methyl 2-(3-ethoxy-1-methyloxycarbonyl-4-oxo-2,5-cyclohexadienyl)acetate

3-ethoxy-4-hydroxymandelic acid

2-Ethoxyphenol

Downstream raw materials:

C₁₉H₂₀N₂O₇

Refernces

• 1、 Jung, Young-Sik,Kang, Tae-Souk,Yoon, Joong-Ho,Joe, Bo-Young,Lim, Hee-Jong,Seong, Churl-Min,Park, Woo-Kyu,Kong, Jae-Yang,Cho, Jungsook,Park, No-Sang. "Synthesis and evaluation of 4-hydroxyphenylacetic acid amides and 4-hydroxycinnamamides as antioxidants". . p. 2599 - 2602. Retrieved 2007/10/03.