Ethyl 5-(piperazin-1-yl)benzofuran-2-carboxylate

Base Information

• Chemical Name: Ethyl 5-(piperazin-1-yl)benzofuran-2-carboxylate
• CAS No.: 163521-20-8
• Molecular Formula: C15H18N2O3
• Molecular Weight: 274.32
• Hs Code.: 2934999090
• European Community (EC) Number: 801-961-6
• UNII: 2UZK946GR5
• DSSTox Substance ID: DTXSID60460666
• Wikidata: Q72476853
• Mol file: 163521-20-8.mol

Synonyms:163521-20-8;Ethyl 5-(piperazin-1-yl)benzofuran-2-carboxylate;ethyl 5-piperazin-1-yl-1-benzofuran-2-carboxylate;2-Benzofurancarboxylic acid, 5-(1-piperazinyl)-, ethyl ester;Ethyl 5-(1-Piperazinyl)benzofuran-2-carboxylate;2UZK946GR5;MFCD18252307;5-Piperazin-1-yl-benzofuran-2-carboxylic acid ethyl ester;ethyl 5-(piperazin-1-yl)-1-benzofuran-2-carboxylate;5-(1-piperazinyl)benzofuran-2-carboxylic acid ethyl ester;5-(1-Piperazinyl)-2-benzofurancarboxylic Acid Ethyl Ester;ethyl5-(piperazin-1-yl)benzofuran-2-carboxylate;Vilazodone Intermediate;UNII-2UZK946GR5;SCHEMBL1888638;2-Benzofurancarboxylic acid,5-(1-piperazinyl)-,ethyl ester;DTXSID60460666;ZKLDXJIVWKPASZ-UHFFFAOYSA-N;AMY21612;BCP07735;CS-M1445;AKOS015924745;AC-26762;AS-20016;SY024791;FT-0745262;L10031;A882565;ethyl 5-(1-piperazinyl)-benzofuran-2-carboxylate;Ethyl 5-(piperazine-1-yl)benzofuran-2-carboxylate;A1-00094;Ethyl 5-(1-piperazinyl)-1-benzofuran-2-carboxylate

Chemical Property of Ethyl 5-(piperazin-1-yl)benzofuran-2-carboxylate

Chemical Property:

• Boiling Point: 429 °C at 760 mmHg
• PKA: 8.85±0.10(Predicted)
• Flash Point: 213.3 °C
• PSA: 54.71000
• Density: 1.197 g/cm³
• LogP: 2.41290
• Storage Temp.: 2-8°C(protect from light)
• Solubility.: DMSO, Methanol
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 274.13174244
• Heavy Atom Count: 20
• Complexity: 344

Purity/Quality:

98.0% ~ 102.0%, ^*data from raw suppliers

5-(1-Piperazinyl)-2-benzofurancarboxylicAcidEthylEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=CC2=C(O1)C=CC(=C2)N3CCNCC3
• Uses: 5-(1-Piperazinyl)-2-benzofurancarboxylic Acid Ethyl Ester is used in the synthesis of benzofuran derivatives for mycobacterium tuberculosis DNA GyrB inhibition.

Technology Process of Ethyl 5-(piperazin-1-yl)benzofuran-2-carboxylate

There total 15 articles about Ethyl 5-(piperazin-1-yl)benzofuran-2-carboxylate 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: 88.0%

ethanol (64-17-5) + 5-(piperazin-1-yl)benzofuran-2-carboxylic acid → 5-(piperazin-1-yl)benzofuran-2-carboxylic acid ethyl ester (163521-20-8)

Guidance literature:

With sulfuric acid; at 0 - 75 ℃;

Reference yield: 85.0%

bis-(2-chloroethyl)amine hydrochloride (821-48-7) + ethyl 5-amino-1-benzofuran-2-carboxylate (174775-48-5) → 5-(piperazin-1-yl)benzofuran-2-carboxylic acid ethyl ester (163521-20-8)

Guidance literature:

With sodium carbonate; In isopropyl alcohol; at 50 - 60 ℃; for 4h;

Reference yield: 81.0%

ethanol (64-17-5) + 3-[2-hydroxy-5-(piperazin-1-yl)] phenyl-2-propenoic acid → 5-(piperazin-1-yl)benzofuran-2-carboxylic acid ethyl ester (163521-20-8)

Guidance literature:

ethanol; 3-[2-hydroxy-5-(piperazin-1-yl)] phenyl-2-propenoic acid; With potassium carbonate; In tetrahydrofuran; for 2h;

With iodine; In tetrahydrofuran; Concentration;

upstream raw materials:

N,N-bis(chloro-2-ethyl)amine

ethyl 5-amino-1-benzofuran-2-carboxylate

salicylaldehyde

5-Nitrosalicylaldehyde

Refernces

• 1、 -. "Synthetic method for vilazodone intermediate ethyl 5-(1-piperazinyl)-2-benzofuran-2-carboxylate". . . Retrieved 2018/03/01.
• 2、 -. "A PROCESS FOR PREPARATION OF 2-BENZOFURANCARBOXAMIDE, 5-[4-[4-(5CYANO-1H-INDOL-3-YL)BUTYL]-1-PIPERAZINYL] FREE BASE AND ITS HYDROCHLORIDE SALT". Page/Page column 20. . Retrieved 2016/09/22.