5-Iodo-3(2H)-benzofuranone

Base Information

• Chemical Name: 5-Iodo-3(2H)-benzofuranone
• CAS No.: 60770-51-6
• Molecular Formula: C8H5 I O2
• Molecular Weight: 260.031
• DSSTox Substance ID: DTXSID30515172
• Wikidata: Q82375927
• Mol file: 60770-51-6.mol

Synonyms:5-Iodo-3(2H)-benzofuranone;60770-51-6;5-iodo-1-benzofuran-3-one;5-iodobenzofuran-3(2H)-one;3(2H)-Benzofuranone,5-iodo-;SCHEMBL3045957;DTXSID30515172;JEHKHXISMMCMEU-UHFFFAOYSA-N;5-Iodo-1-benzofuran-3(2H)-one;AKOS009561577;FT-0648039

Chemical Property of 5-Iodo-3(2H)-benzofuranone

Chemical Property:

• Vapor Pressure: 8.1E-05mmHg at 25°C
• Boiling Point: 341.3°C at 760 mmHg
• Flash Point: 160.2°C
• PSA: 26.30000
• Density: 2.029g/cm³
• LogP: 1.86630
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 259.93343
• Heavy Atom Count: 11
• Complexity: 181

Purity/Quality:

98%Min ^*data from raw suppliers

5-Iodo-3(2H)-benzofuranone 95+% ^*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)I

Technology Process of 5-Iodo-3(2H)-benzofuranone

There total 5 articles about 5-Iodo-3(2H)-benzofuranone 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: 93.8%

→ 5-iodobenzofuran-3(2H)-one (60770-51-6)

Guidance literature:

Reference yield: 62.0%

para-iodoanisole (696-62-8) + chloroacetyl chloride (79-04-9) → 5-iodobenzofuran-3(2H)-one (60770-51-6)

Guidance literature:

para-iodoanisole; chloroacetyl chloride; With aluminum (III) chloride; In dichloromethane; at 25 - 40 ℃; for 78.75h; Inert atmosphere;

With sodium acetate; In ethanol; for 2h; Reflux; Inert atmosphere;

DOI:10.1016/j.ejmech.2017.02.048

Reference yield:

2-((ethoxycarbonyl)methoxy)-5-iodobenzoic acid methyl ester (705262-57-3) → 5-iodobenzofuran-3(2H)-one (60770-51-6)

Guidance literature:

2-((ethoxycarbonyl)methoxy)-5-iodobenzoic acid methyl ester; With lithium hexamethyldisilazane; In toluene; at 0 - 25 ℃; for 2h;

With sodium hydroxide; In ethanol; water; at 0 - 80 ℃; for 1.5h;

With hydrogenchloride; In water; at 25 - 60 ℃; for 2.5h;

DOI:10.1016/j.bmcl.2011.11.050

upstream raw materials:

3-acetoxy-5-iodo-benzofuran

2-((ethoxycarbonyl)methoxy)-5-iodobenzoic acid methyl ester

methyl 5-iodosalicylate

para-iodoanisole

Downstream raw materials:

(Z)-2-(4-hydroxybenzylidene)-5-iodobenzofuran-3(2H)-one

C₁₇H₁₅NO₃S

(Z)-2-(4-(2-hydroxyethoxy)benzylidene)-5-iodobenzofuran-3(2H)-one

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