2-Ethyl-1-benzofuran-3-carboxylic acid

Base Information

• Chemical Name: 2-Ethyl-1-benzofuran-3-carboxylic acid
• CAS No.: 52489-34-6
• Molecular Formula: C₁₁H₁₀O₃
• Molecular Weight: 190.199
• European Community (EC) Number: 821-603-2
• Mol file: 52489-34-6.mol

Synonyms:2-ethyl-1-benzofuran-3-carboxylic acid;52489-34-6;SCHEMBL4670184;CCA48934;MFCD17257563;2-ethyl-1-benzofuran-3-carboxylicacid;AKOS009158110;AS-44014;EN300-118652;Z1065630270

Chemical Property of 2-Ethyl-1-benzofuran-3-carboxylic acid

Chemical Property:

• Melting Point: 118 °C
• PSA: 50.44000
• LogP: 2.69340
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 190.062994177
• Heavy Atom Count: 14
• Complexity: 227

Purity/Quality:

98% ^*data from raw suppliers

2-ethyl-1-benzofuran-3-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCC1=C(C2=CC=CC=C2O1)C(=O)O

Technology Process of 2-Ethyl-1-benzofuran-3-carboxylic acid

There total 8 articles about 2-Ethyl-1-benzofuran-3-carboxylic 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: 43.0%

pent-2-ynoic acid (5963-77-9) + N-(phenoxy)acetamide (5661-50-7) → 2-ethylbenzofuran-3-carboxylic acid (52489-34-6)

Guidance literature:

With dichloro(pentamethylcyclopentadienyl)rhodium (III) dimer; cobalt(II) diacetate tetrahydrate; sodium pivalate; In methanol; at 20 ℃; for 12h;

DOI:10.1021/acs.orglett.9b00181

Reference yield:

benzofurane-3-carboxylic acid (26537-68-8) + ethyl iodide (75-03-6) → 2-ethylbenzofuran-3-carboxylic acid (52489-34-6)

Guidance literature:

With lithium diisopropyl amide; Multistep reaction;

DOI:10.1016/S0040-4039(00)88366-5

Reference yield:

3-acetyl-2-ethylbenzofuran (4265-18-3) → 2-ethylbenzofuran-3-carboxylic acid (52489-34-6)

Guidance literature:

With alkaline aqueous sodium hypobromite solution;

upstream raw materials:

3-acetyl-2-ethylbenzofuran

3-propionyl-3H-benzofuran-2-one

benzofurane-3-carboxylic acid

ethyl iodide

Refernces

• 1、 -. "6-(Aryl-amido or aryl-amidomethyl)-naphthalen-2-yloxy-acidic derivatives as inhibitors of plasminogen activator inhibitor type-1 (PAI-1)". . . Retrieved 2008/06/13.