Ethyl 2-amino-1-benzothiophene-3-carboxylate

Basic Information

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CAS Number

7311-95-7

Molecular Formula

C11H11NO2S

Molecular Weight

221.28 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

SMILES

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CCOC(=O)C1=C(SC2=CC=CC=C21)N

InChI

InChI=1S/C11H11NO2S/c1-2-14-11(13)9-7-5-3-4-6-8(7)15-10(9)12/h3-6H,2,12H2,1H3

InChIKey

XNASJEQIJMDBQN-UHFFFAOYSA-N

LogP

2.6602000000000006

Topological Polar Surface Area

52.32 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

247

Safety Information

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Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

ethyl 2-aminobenzo[b]thiophene-3-carboxylate
CS-0049511
FT-0686489
HMS1414M04
ethyl 2-aminobenzo[b]thiophene-3-carboxlate
ethyl 2-aninobenzo[b]thiophene-3-carboxylate
ethyl-2-amino-benzo(b)thiopene-3-carboxylate
AMY18702
SR-01000196773
IFLab1_000972
Oprea1_140740
Oprea1_006777
EN300-36399
XNASJEQIJMDBQN-UHFFFAOYSA-N
SR-01000196773-1
DTXSID70351399
ethyl 2-aminobenzo(b)thiophene-3-carboxylate
BS-14025
2-Aminobenzo[b]thiophene-3-carboxylic acid ethyl ester
2-amino-benzo[b]thiophene-3-carboxylic acid ethyl ester
3-amino-benzo[B]thiophene3-carboxylic acid ethyl ester
PB24604
F0239-0565
KUC107341N
KSC-20-007
ethyl-2-amino-benzo(b)thiophene-3-carboxylate
ethyl 2-aminobenzothiophene-3-carboxylate
7311-95-7
MFCD00102506
2-Amino-1-benzothiophene-3-carboxylic acid ethyl ester
ethyl 2-amino-1-benzothiophene-3-carboxylate

MDL Number

MFCD00102506

Customs Code

2934999090

FAQ

What are the physical and chemical properties of Ethyl 2-amino-1-benzothiophene-3-carboxylate (CAS: 7311-95-7)?

Ethyl 2-amino-1-benzothiophene-3-carboxylate is a solid at room temperature. It has a molecular weight of approximately 258.34 g/mol and is slightly soluble in water. The compound is reactive towards nucleophiles and can undergo substitution reactions. It also shows good solubility in organic solvents like ethanol and acetone.

How is Ethyl 2-amino-1-benzothiophene-3-carboxylate (CAS: 7311-95-7) typically synthesized?

Ethyl 2-amino-1-benzothiophene-3-carboxylate is typically synthesized by reacting ethyl 2-bromobenzothiophene-3-carboxylate with ammonium hydroxide in the presence of a base like potassium carbonate. The reaction yields the target compound with good selectivity and a yield of around 70-80%.

What industries use Ethyl 2-amino-1-benzothiophene-3-carboxylate (CAS: 7311-95-7)?

Ethyl 2-amino-1-benzothiophene-3-carboxylate is used in the pharmaceutical industry for the synthesis of certain drugs. It is also applied in the chemical industry for the development of sensors and in the electronics industry for the production of semiconductor materials.

What precautions should be taken when handling Ethyl 2-amino-1-benzothiophene-3-carboxylate (CAS: 7311-95-7)?

When handling Ethyl 2-amino-1-benzothiophene-3-carboxylate, it is essential to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated hood or fume hood. Spills should be cleaned up with appropriate absorbent material and disposed of according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed handling and emergency procedures.