Methyl thieno[3,2-b]thiophene-2-carboxylate

Basic Information

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CAS Number

98800-10-3

Molecular Formula

C8H6O2S2

Molecular Weight

198.27 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

96.0 to 100.0 deg-C

Boiling Point

306.1±22.0 °C at 760 mmHg

Density

1.4±0.1 g/cm3

Flash Point

138.9±22.3 °C

Refractive Index

1.673

Vapor Pressure

0.0±0.6 mmHg at 25°C

SMILES

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COC(=O)C1=CC2=C(S1)C=CS2

InChI

InChI=1S/C8H6O2S2/c1-10-8(9)7-4-6-5(12-7)2-3-11-6/h2-4H,1H3

InChIKey

VCLNJFSCOKHCEJ-UHFFFAOYSA-N

LogP

2.7494000000000005

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

196

Safety Information

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Hazard Statement

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

HMS562F20
FT-0628811
DTXSID50372340
METHYL THIENO[3,2-B!THIOPHENE-2-CARBOXYLATE, 97
THIENO[3,2-B]THIOPHENE-2-CARBOXYLICACID, METHYL ESTER
98800-10-3
AC-27449
MFCD01934498
J-522639
methyl thieno[3,2-b]thiophene-5-carboxylate
Maybridge1_007346
VCLNJFSCOKHCEJ-UHFFFAOYSA-N
AMY10755
Methyl thieno[3,2-b]thiophene-2-carboxylate
YDA80010
AKOS005072024
CB-0831
F20567
Thieno[3,2-b]thiophene-2-carboxylic Acid Methyl Ester
M3001
A855127
SCHEMBL9432718
CS-0378237
Thieno[3,2-b]thiophene-2-carboxylicacid, methyl ester
methyl 3-thieno[3,2-b]thiophene-2-carboxylate
methyl thieno<thiophene-2-carboxylate
methylthienobthiophenecarboxylate
Thieno<3,2-b>thiophen-2-carbonsaeure-methylester
thienothiophene methyl ester
C8H6O2S2
KM3486

MDL Number

MFCD01934498

Customs Code

2934999090

FAQ

What are the physical and chemical properties of Methyl thieno[3,2-b]thiophene-2-carboxylate (CAS: 98800-10-3)?

Methyl thieno[3,2-b]thiophene-2-carboxylate is a crystalline solid with a molecular weight of approximately 228.26 g/mol. It has a low solubility in water but is more soluble in organic solvents like dichloromethane and acetone. The compound is relatively stable under normal conditions but can undergo hydrolysis in the presence of strong acids or bases. It has pKa values around 4.5 to 5.0.

How is Methyl thieno[3,2-b]thiophene-2-carboxylate (CAS: 98800-10-3) typically synthesized?

Methyl thieno[3,2-b]thiophene-2-carboxylate is typically synthesized through the condensation of thiophene-2-carboxylic acid with methyl thiophene-2-carboxylate. Commonly used catalysts include oxalyl chloride or N,N'-carbonyldiimidazole (CDI). The reaction is typically performed in dichloromethane and yields around 90% under optimal conditions.

What industries use Methyl thieno[3,2-b]thiophene-2-carboxylate (CAS: 98800-10-3)?

Methyl thieno[3,2-b]thiophene-2-carboxylate is used in the pharmaceutical industry for the synthesis of certain drugs, in the polymer industry for developing advanced materials, and in the semiconductor industry for use in organic light-emitting diodes (OLEDs). It also finds application in sensor technology.

What precautions should be taken when handling Methyl thieno[3,2-b]thiophene-2-carboxylate (CAS: 98800-10-3)?

When handling Methyl thieno[3,2-b]thiophene-2-carboxylate, it is essential to wear appropriate personal protective equipment (PPE) including gloves, goggles, and a lab coat. This compound should be stored in a cool, dry place away from direct sunlight and flammable materials. Spills should be cleaned up with appropriate absorbent materials and disposed of according to local hazardous waste regulations. Always refer to a Safety Data Sheet (SDS) for detailed safety information.