7-Chlorobenzofuran-3(2H)-one

Base Information

• Chemical Name: 7-Chlorobenzofuran-3(2H)-one
• CAS No.: 3260-94-4
• Molecular Formula: C8H5 Cl O2
• Molecular Weight: 168.579
• Hs Code.: 2932999099
• ChEMBL ID: CHEMBL4542985
• DSSTox Substance ID: DTXSID901308848
• Mol file: 3260-94-4.mol

Synonyms:7-Chlorobenzofuran-3(2H)-one;3260-94-4;7-Chloro-benzofuran-3-one;7-chloro-1-benzofuran-3-one;7-CHLORO-3-BENZOFURANONE;7-chloro-2,3-dihydro-1-benzofuran-3-one;7-Chlorobenzofuran-3-one;3(2H)-Benzofuranone, 7-chloro-;MFCD08544412;7-Chlorobenzo[b]furan-3(2H)-one;7-chloro-3(2H)-Benzofuranone;SCHEMBL3976344;CHEMBL4542985;3(2H)-Benzofuranone,7-chloro-;GUWMEVTXPJYGNC-UHFFFAOYSA-N;DTXSID901308848;AKOS000224033;AT10339;SB36601;AC-31639;AS-78643;SY187109;CS-0310032;EN300-69850;A821339;Z334863094

Chemical Property of 7-Chlorobenzofuran-3(2H)-one

Chemical Property:

• Vapor Pressure: 0.000277mmHg at 25°C
• Boiling Point: 322.6°C at 760 mmHg
• Flash Point: 148.9°C
• PSA: 26.30000
• Density: 1.742g/cm³
• LogP: 1.91510
• Storage Temp.: 2-8°C
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 167.9978071
• Heavy Atom Count: 11
• Complexity: 181

Purity/Quality:

99%, ^*data from raw suppliers

7-chlorobenzofuran-3(2H)-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(=O)C2=C(O1)C(=CC=C2)Cl

Technology Process of 7-Chlorobenzofuran-3(2H)-one

There total 7 articles about 7-Chlorobenzofuran-3(2H)-one 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: 46.0%

2-carbomethoxy-7-chloro-3-hydroxybenzofuran → 7-chloro-3-benzofuranone (3260-94-4)

Guidance literature:

With hydrogenchloride; sodium hydroxide; In 1,4-dioxane;

Reference yield: 24.0%

methyl 7-chloro-3-oxo-benzofuran-2-carboxylate → 7-chloro-3-benzofuranone (3260-94-4)

Guidance literature:

With hydrogenchloride; In methanol; water; at 100 ℃;

DOI:10.1016/j.bioorg.2020.104062

Reference yield:

methyl 3-chloro-2-hydroxybenzoate (52159-67-8) → 7-chloro-3-benzofuranone (3260-94-4)

Guidance literature:

Multi-step reaction with 4 steps

1: potassium carbonate / acetone / 56 °C

2: potassium tert-butylate / tetrahydrofuran / 1 h

3: hydrogenchloride / water

4: hydrogenchloride / methanol; water / 100 °C

With hydrogenchloride; potassium tert-butylate; potassium carbonate; In tetrahydrofuran; methanol; water; acetone;

DOI:10.1016/j.bioorg.2020.104062

upstream raw materials:

C₁₀H₇ClO₃

methyl 3-chloro-2-hydroxybenzoate

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