Methyl 4H-thieno[3,2-b]pyrrole-5-carboxylate

Basic Information

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CAS Number

82782-85-2

Molecular Formula

C8H7NO2S

Molecular Weight

181.22 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 Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

143-145 ºC

Density

1.402

SMILES

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COC(=O)c1cc2sccc2[nH]1

InChI

InChI=1S/C8H7NO2S/c1-11-8(10)6-4-7-5(9-6)2-3-12-7/h2-4,9H,1H3

InChIKey

SBBZXGMGOKVVOB-UHFFFAOYSA-N

LogP

2.016

Topological Polar Surface Area

42.09 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

198

Synonyms & References

English

Methyl 4H-thieno[3,2-b]pyrrole-5-carboxylate
4H-THIENO[3,2-B]PYRROLE-5-CARBOXYLIC ACID METHYL ESTER
methyl thieno[3,2-b]pyrrole-5-carboxylate
OR1442
thieno[3,2-b]pyrrole-5-carboxylic acid methyl ester
METHYL 4H-THIENO[3,2-B!PYRROLE-5-CARBOXYLATE
4H-Thieno[3,2-b]pyrrole-5-carboxylic acid, methyl ester
SBBZXGMGOKVVOB-UHFFFAOYSA-N
STK894050
FCH921237
BBL021338
AX8170965
AB0026886
W8639
ST24031118
METHYL 4H-THIENO[3,2-B!PYRROLE-5-CARBOXY
methyl 4H-thieno[3,2-b]pyrrole-5-carboxylate

MDL Number

MFCD06797484

Customs Code

2934999090

FAQ

What are the physical and chemical properties of Methyl 4H-thieno[3,2-b]pyrrole-5-carboxylate (CAS: 82782-85-2)?

Methyl 4H-thieno[3,2-b]pyrrole-5-carboxylate (CAS: 82782-85-2) is a crystalline solid with a molecular weight of approximately 226.24 g/mol. It has a low solubility in water but is soluble in organic solvents like ethanol and acetone. This compound exhibits limited reactivity in typical organic reactions, making it suitable for various chemical applications. It is often found in pharmaceutical and chemical synthesis due to its unique structural features.

How is Methyl 4H-thieno[3,2-b]pyrrole-5-carboxylate (CAS: 82782-85-2) typically synthesized?

Methyl 4H-thieno[3,2-b]pyrrole-5-carboxylate (CAS: 82782-85-2) is commonly synthesized via the reaction of 4H-thieno[3,2-b]pyrrole-5-carboxylic acid with methyl bromide in the presence of a base like potassium carbonate. The reaction is stereoselective and yields a high purity product with good selectivity and high yield. This synthetic route is favored due to its simplicity and efficiency.

What industries use Methyl 4H-thieno[3,2-b]pyrrole-5-carboxylate (CAS: 82782-85-2)?

Methyl 4H-thieno[3,2-b]pyrrole-5-carboxylate (CAS: 82782-85-2) is primarily used in the pharmaceutical industry for the synthesis of various bioactive compounds. It also finds application in polymer science for developing new materials with specific properties. Additionally, it is utilized in the production of sensors and semiconductors due to its unique electronic and structural characteristics.

What precautions should be taken when handling Methyl 4H-thieno[3,2-b]pyrrole-5-carboxylate (CAS: 82782-85-2)?

When handling Methyl 4H-thieno[3,2-b]pyrrole-5-carboxylate (CAS: 82782-85-2), it is essential to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Ensure adequate ventilation and work in a fume hood to minimize exposure. Spills should be managed carefully, and proper disposal methods should be followed. Always refer to the Safety Data Sheet (SDS) for detailed handling and safety information.