(4-((3-Oxo-2(3H)-benzofuranylidene)methyl)phenoxy)acetic acid

Base Information

• Chemical Name: (4-((3-Oxo-2(3H)-benzofuranylidene)methyl)phenoxy)acetic acid
• CAS No.: 70170-79-5
• Molecular Formula: C17H12O5
• Molecular Weight: 296.2742
• Wikidata: Q76387837
• Mol file: 70170-79-5.mol

Synonyms:(4-((3-Oxo-2(3H)-benzofuranylidene)methyl)phenoxy)acetic acid;Acetic acid, (4-((3-oxo-2(3H)-benzofuranylidene)methyl)phenoxy)-;70170-79-5

Chemical Property of (4-((3-Oxo-2(3H)-benzofuranylidene)methyl)phenoxy)acetic acid

Chemical Property:

• Vapor Pressure: 2.43E-12mmHg at 25°C
• Boiling Point: 536.5°Cat760mmHg
• Flash Point: 203.1°C
• Density: 1.417g/cm³
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 296.06847348
• Heavy Atom Count: 22
• Complexity: 462

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=O)C(=CC3=CC=C(C=C3)OCC(=O)O)O2
• Isomeric SMILES: C1=CC=C2C(=C1)C(=O)/C(=C\C3=CC=C(C=C3)OCC(=O)O)/O2

Technology Process of (4-((3-Oxo-2(3H)-benzofuranylidene)methyl)phenoxy)acetic acid

There total 4 articles about (4-((3-Oxo-2(3H)-benzofuranylidene)methyl)phenoxy)acetic 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: 70.0%

(Z)-ethyl 2-(4-((3-oxobenzofuran-2(3H)-ylidene)methyl)phenoxy)acetate → (Z)-2-(4-((3-oxobenzofuran-2(3H)-ylidene)methyl)phenoxy)acetic acid (70170-79-5)

Guidance literature:

With lithium hydroxide monohydrate; In tetrahydrofuran; methanol; water; at 20 ℃; for 12h;

DOI:10.1016/j.bmcl.2019.06.060

Reference yield:

3-oxo-2,3-dihydrobenzo[b]furan (7169-34-8) → (Z)-2-(4-((3-oxobenzofuran-2(3H)-ylidene)methyl)phenoxy)acetic acid (70170-79-5)

Guidance literature:

Multi-step reaction with 3 steps

1: piperidine / ethanol / 2 h / Reflux

2: potassium carbonate / acetone / 12 h / Reflux

3: lithium hydroxide monohydrate / tetrahydrofuran; water; methanol / 12 h / 20 °C

With piperidine; lithium hydroxide monohydrate; potassium carbonate; In tetrahydrofuran; methanol; ethanol; water; acetone;

DOI:10.1016/j.bmcl.2019.06.060

Reference yield:

4-hydroxy-benzaldehyde (123-08-0,65581-83-1) → (Z)-2-(4-((3-oxobenzofuran-2(3H)-ylidene)methyl)phenoxy)acetic acid (70170-79-5)

Guidance literature:

Multi-step reaction with 3 steps

1: piperidine / ethanol / 2 h / Reflux

2: potassium carbonate / acetone / 12 h / Reflux

3: lithium hydroxide monohydrate / tetrahydrofuran; water; methanol / 12 h / 20 °C

With piperidine; lithium hydroxide monohydrate; potassium carbonate; In tetrahydrofuran; methanol; ethanol; water; acetone;

DOI:10.1016/j.bmcl.2019.06.060

upstream raw materials:

3-oxo-2,3-dihydrobenzo[b]furan

4-hydroxy-benzaldehyde

(2Z)-2-[(4-hydroxyphenyl)methylidene]benzofuran-3-one