Ethyl 3-(1-benzofuran-2-yl)-3-oxopropanoate

Basic Information

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CAS Number

78917-44-9

Molecular Formula

C13H12O4

Molecular Weight

232.24 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Boiling Point

329.8 ℃ at 760 mmHg

SMILES

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CCOC(=O)CC(=O)C1=CC2=CC=CC=C2O1

InChI

InChI=1S/C13H12O4/c1-2-16-13(15)8-10(14)12-7-9-5-3-4-6-11(9)17-12/h3-7H,2,8H2,1H3

InChIKey

DBSJYHCDGBZOEP-UHFFFAOYSA-N

LogP

2.5687000000000006

Topological Polar Surface Area

56.510000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

300

Synonyms & References

English

DBSJYHCDGBZOEP-UHFFFAOYSA-N
2-benzofuranyl ethyloxycarbonylmethyl ketone
ETHYL 3-BENZOFURAN-2-YL-3-OXO-PROPIONATE
Ethyl 3-(benzofuran-2-yl)-3-oxopropanoate
ETHYL3-BENZOFURAN-2-YL-3-OXO-PROPIONATE
DTXSID40509587
AB18177
AC-7803
CS-0340613
MFCD04114373
ethyl 3-(benzo[b]furan-2-yl)-3-oxopropanoate
Ethyl3-(benzofuran-2-yl)-3-oxopropanoate
FT-0689885
SCHEMBL4502411
AKOS005202396
78917-44-9
ETHYL 3-(1-BENZOFURAN-2-YL)-3-OXOPROPANOATE
2-Benzofuranpropanoicacid, b-oxo-, ethyl ester
Ethyl 3-(benzofuran-2-yl)-3-oxopropionate
3-benzofuran-2-yl-3-oxo-propionic acid ethyl ester
3-Benzofuran-2-yl-3-oxo-propionsaeure-aethylester
Ethyl (2-benzofuroyl)-acetate
ethyl coumariloylacetate
Ethyl 3-benzofuran-2-yl-3-oxo-propionate

MDL Number

MFCD04114373

Customs Code

2932999099

FAQ

What are the physical and chemical properties of Ethyl 3-(1-benzofuran-2-yl)-3-oxopropanoate (CAS: 78917-44-9)?

Ethyl 3-(1-benzofuran-2-yl)-3-oxopropanoate (CAS: 78917-44-9) is a crystalline compound with a molecular weight of approximately 226.25 g/mol. The compound is slightly soluble in water but readily soluble in common organic solvents such as ethanol and acetone. It exhibits good reactivity towards nucleophiles and is commonly used in organic synthesis. The compound is stable under normal conditions but should be stored away from direct sunlight and moisture.

How is Ethyl 3-(1-benzofuran-2-yl)-3-oxopropanoate (CAS: 78917-44-9) typically synthesized?

Ethyl 3-(1-benzofuran-2-yl)-3-oxopropanoate (CAS: 78917-44-9) is typically synthesized via a multi-step reaction involving condensation of benzofuran-2-carboxylic acid with ethyl chloroacetate followed by esterification. The reaction requires mild acidic or basic conditions and is known for its high yield and good selectivity. This compound is often used in the synthesis of functionalized derivatives and pharmaceutical intermediates.

What industries use Ethyl 3-(1-benzofuran-2-yl)-3-oxopropanoate (CAS: 78917-44-9)?

Ethyl 3-(1-benzofuran-2-yl)-3-oxopropanoate (CAS: 78917-44-9) is primarily used in the pharmaceutical and chemical industries. It serves as a key intermediate in the synthesis of various drugs and functionalized compounds. Additionally, it has potential applications in the field of sensors and semiconductors due to its unique chemical properties.

What precautions should be taken when handling Ethyl 3-(1-benzofuran-2-yl)-3-oxopropanoate (CAS: 78917-44-9)?

When handling Ethyl 3-(1-benzofuran-2-yl)-3-oxopropanoate (CAS: 78917-44-9), it is important to use appropriate personal protective equipment (PPE) such as gloves and safety goggles. The compound should be stored in a cool, dry place and handled under a fume hood to minimize exposure. In case of a spill, it should be carefully cleaned up using appropriate absorbent materials. Always refer to the Safety Data Sheet (SDS) for detailed safety information and emergency procedures.