Ethyl 5-(1-Piperazinyl)benzofuran-2-carboxylate - CAS 163521-20-8
Catalog: |
BB012008 |
Product Name: |
Ethyl 5-(1-Piperazinyl)benzofuran-2-carboxylate |
CAS: |
163521-20-8 |
Synonyms: |
5-(1-piperazinyl)-2-benzofurancarboxylic acid ethyl ester; ethyl 5-piperazin-1-yl-1-benzofuran-2-carboxylate |
IUPAC Name: | ethyl 5-piperazin-1-yl-1-benzofuran-2-carboxylate |
Description: | Ethyl 5-(1-Piperazinyl)benzofuran-2-carboxylate (CAS# 163521-20-8) is used in the synthesis of benzofuran derivatives for mycobacterium tuberculosis DNA GyrB inhibition. |
Molecular Weight: | 274.32 |
Molecular Formula: | C15H18N2O3 |
Canonical SMILES: | CCOC(=O)C1=CC2=C(O1)C=CC(=C2)N3CCNCC3 |
InChI: | InChI=1S/C15H18N2O3/c1-2-19-15(18)14-10-11-9-12(3-4-13(11)20-14)17-7-5-16-6-8-17/h3-4,9-10,16H,2,5-8H2,1H3 |
InChI Key: | ZKLDXJIVWKPASZ-UHFFFAOYSA-N |
Boiling Point: | 429 °C at 760 mmHg |
Density: | 1.197 g/cm3 |
LogP: | 2.41290 |
Publication Number | Title | Priority Date |
CN-110092778-B | Method for preparing vilazodone intermediate and vilazodone medicine by using cheap metal copper | 20190514 |
CN-108003062-B | Synthesis method of single BOC protected diamino compound | 20171225 |
CN-107540646-B | Synthesis method of vilazodone intermediate | 20170829 |
CN-107674052-B | Synthesis method of vilazodone intermediate 5- (1-piperazinyl) -2-benzofuran-2-carboxylic acid ethyl ester | 20170829 |
WO-2016128987-A1 | A process for preparation of 2-benzofurancarboxamide, 5-[4-[4-(5cyano-1h-indol-3-yl)butyl]-1-piperazinyl] free base and its hydrochloride salt | 20150213 |
Complexity: | 344 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 274.13174244 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 274.13174244 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 54.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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