Ethyl 5-amino-1-benzofuran-2-carboxylate

Basic Information

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CAS Number

174775-48-5

Molecular Formula

C11H11NO3

Molecular Weight

205.21 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Amines

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

Melting Point

62.0 to 66.0 deg-C

Boiling Point

348.1°C at 760 mmHg

Density

1.258

Flash Point

164.3°C

Refractive Index

1.617

SMILES

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CCOC(=O)C1=CC2=C(O1)C=CC(=C2)N

InChI

InChI=1S/C11H11NO3/c1-2-14-11(13)10-6-7-5-8(12)3-4-9(7)15-10/h3-6H,2,12H2,1H3

InChIKey

YFFLLDHEEWSHQG-UHFFFAOYSA-N

LogP

2.1917

Topological Polar Surface Area

65.46000000000001 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

244

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

UNII-QNA7K2K6RX
SCHEMBL2255398
5-AMINO-BENZOFURAN-2-CARBOXYLIC ACID ETHYL ESTER
ethyl-5-amino-1-benzofuran-2-carboxylate
5-aminobenzofuran-2-carboxylic acid ethyl ester
ETHYL5-AMINOBENZOFURAN-2-CARBOXYLATE
Ethyl 5-Amino-1-benzofuran-2-carboxylate
2-BENZOFURANCARBOXYLIC ACID, 5-AMINO-, ETHYL ESTER
AC-25876
CS-M1412
PB17511
ethyl 5-amino-2-benzofurancarboxylate
174775-48-5
Ethyl 5-aminobenzofuran-2-carboxylate
SY024777
AKOS005072009
P10580
J-521106
Ethyl 5-aminobenzo[b]furan-2-carboxylate
MFCD08275091
EN300-211182
DTXSID60431558
FT-0680785
AM84613
BCP12350
YFFLLDHEEWSHQG-UHFFFAOYSA-N
E1138
QNA7K2K6RX
CB-0818
Ethyl 5-amino-1-benzofuran-2-carboxylate
Ethyl 5-Aminobenzofuran-2-Carboxylate

MDL Number

MFCD08275091

Customs Code

2932999099

FAQ

What are the physical and chemical properties of Ethyl 5-amino-1-benzofuran-2-carboxylate (CAS: 174775-48-5)?

Ethyl 5-amino-1-benzofuran-2-carboxylate (CAS: 174775-48-5) is a crystalline solid with a molecular weight of approximately 231.26 g/mol. It is slightly soluble in water and more soluble in organic solvents. This compound exhibits moderate reactivity with basic and acidic compounds, making it useful in various chemical reactions. It has a melting point around 115-117°C and a boiling point of about 320°C at 760 mmHg.

How is Ethyl 5-amino-1-benzofuran-2-carboxylate (CAS: 174775-48-5) typically synthesized?

Ethyl 5-amino-1-benzofuran-2-carboxylate (CAS: 174775-48-5) can be synthesized via a multi-step process starting with ethyl benzoate and aniline. The key steps involve condensation followed by alkylation, then reduction, and finally the formation of the amino group. Commonly used catalysts include various Lewis acids and transition metal complexes. The overall yield is around 70-80%, and the method is selective and efficient.

What industries use Ethyl 5-amino-1-benzofuran-2-carboxylate (CAS: 174775-48-5)?

Ethyl 5-amino-1-benzofuran-2-carboxylate (CAS: 174775-48-5) is primarily used in the pharmaceutical industry for the synthesis of drugs and intermediates. It is also utilized in the polymer industry for enhancing the properties of certain polymers. Additionally, it finds applications in the sensor technology and semiconductor industries for developing advanced materials with specific functional groups.

What precautions should be taken when handling Ethyl 5-amino-1-benzofuran-2-carboxylate (CAS: 174775-48-5)?

When handling Ethyl 5-amino-1-benzofuran-2-carboxylate (CAS: 174775-48-5), it is crucial to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. The compound should be stored in a cool, dry place away from direct sunlight and heat sources. In case of spills, ensure proper ventilation and use appropriate cleanup materials. Always consult the Safety Data Sheet (SDS) for detailed handling and disposal instructions.