2(3H)-Benzofuranone, 5-methoxy-

Base Information

• Chemical Name: 2(3H)-Benzofuranone, 5-methoxy-
• CAS No.: 2503-24-4
• Molecular Formula: C9H8O3
• Molecular Weight: 164.161
• DSSTox Substance ID: DTXSID70435582
• Nikkaji Number: J2.365.987E
• Wikidata: Q82250614
• Mol file: 2503-24-4.mol

Synonyms:2(3H)-Benzofuranone, 5-methoxy-;2503-24-4;5-METHOXY-3H-1-BENZOFURAN-2-ONE;2-oxo-5-methoxy-benzofuran;SCHEMBL5369640;5-Methoxybenzofuran-2(3H)-one;DTXSID70435582;2(3h)-benzo[b]furanone,5-methoxy-

Chemical Property of 2(3H)-Benzofuranone, 5-methoxy-

Chemical Property:

• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 164.047344113
• Heavy Atom Count: 12
• Complexity: 190

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC2=C(C=C1)OC(=O)C2

Technology Process of 2(3H)-Benzofuranone, 5-methoxy-

There total 1 articles about 2(3H)-Benzofuranone, 5-methoxy- 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:

4-(methylsulfonyl)benzenethiol (3814-25-3) + 2-(2-iodo-5-methoxyphenyl)acetic acid (73029-52-4) → 5-methoxybenzofuran-2(3H)-one (2503-24-4) + bis[4-(methanesulfonyl)phenyl] disulfide (92424-06-1) + <5-Methoxy-2-(4-methylsulfonylphenylthio)phenyl>acetic Acid (98190-65-9)

Guidance literature:

With potassium hydroxide; copper; Yield given. Multistep reaction; 1) H₂₀, 70 deg C, 20 min 2) reflux, 9 h;

DOI:10.1135/cccc19850519

Reference yield: 84.0%

5-methoxybenzofuran-2(3H)-one (2503-24-4) + 4-chlorobenzaldehyde (104-88-1) → 3-[(4-chlorophenyl)methylidene]-5-methoxybenzo[b]furan-2-one + 3-[(4-chlorophenyl)methylidene]-5-methoxybenzo[b]furan-2-one

Guidance literature:

at 80 ℃; for 2h; Solvent; Temperature; Green chemistry;

DOI:10.1080/00397911.2017.1333618

Reference yield: 66.0%

5-methoxybenzofuran-2(3H)-one (2503-24-4) → 5-Hydroxy-2-coumaranone (2688-48-4)

Guidance literature:

With pyridine hydrochloride; at 180 - 190 ℃; for 3h;

DOI:10.1016/j.tet.2006.08.048

upstream raw materials:

4-(methylsulfonyl)benzenethiol

2-(2-iodo-5-methoxyphenyl)acetic acid

Downstream raw materials:

2-(2-hydroxy-5-methoxyphenyl)ethanol

5-Hydroxy-2-coumaranone

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