Methyl 5-formyl-3-thiophenecarboxylate

Basic Information

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CAS Number

67808-66-6

Molecular Formula

C7H6O3S

Molecular Weight

170.19 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Aldehydes

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

113-116°C

Boiling Point

296°C at 760 mmHg

SMILES

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COC(=O)C1=CSC(=C1)C=O

InChI

InChI=1S/C7H6O3S/c1-10-7(9)5-2-6(3-8)11-4-5/h2-4H,1H3

InChIKey

GNXNZRYWBFMVHK-UHFFFAOYSA-N

LogP

1.3472

Topological Polar Surface Area

43.370000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

169

Safety Information

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Hazard Statement

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

Sensitiveness

Air Sensitive

Synonyms & References

English

DTXSID20356011
A835892
AM804220
GNXNZRYWBFMVHK-UHFFFAOYSA-N
5-Formyl-3-Thiophene Carboxylic Acid Methylester
Methyl 2-formylthiophene-4-carboxylate
3-Thiophenecarboxylic acid, 5-formyl-, methyl ester
5-formyl-thiophene-3-carboxylic acid methyl ester
Z1201621404
J-522485
AS-32946
CS-D0187
AI-942/25034378
EN300-209013
67808-66-6
Methyl 2-Formyl-4-Thiophenecarboxylate
methyl 5-formylthiophene-3-carboxylate
MFCD01859945
methyl5-formylthiophene-3-carboxylate
FT-0601265
AKOS003657321
SCHEMBL2940872
AC-5472
Methyl 2-formyl-4-thiophenecarboxylate
METHYL-2-FORMYL-4-THIOPHENECARBOXYLATE
2-Formylthiophene-4-carboxylic acid methyl ester
3-THIOPHENECARBOXYLIC ACID,5-FORMYL-,METHYL ESTER
3-methoxycarbonyl-thiophene-5-carboxaldehyde
5-Formylthiophene-3-carboxylic acid methyl ester
methyl 5-formyl-3-thiophenecarboxylate
METHYL 5-FORMYLTHIOPHENE-3-CARBOXYLATE

MDL Number

MFCD01859945

Customs Code

2934999090

FAQ

What are the physical and chemical properties of Methyl 5-formyl-3-thiophenecarboxylate (CAS: 67808-66-6)?

Methyl 5-formyl-3-thiophenecarboxylate is a crystalline solid with a molecular weight of approximately 222.23 g/mol. It has a solubility of about 1.4 g/100 mL in water and is somewhat soluble in common organic solvents like ethanol and acetone. Chemically, it reacts readily with nucleophiles due to the presence of the formyl group. It displays Lewis acidity and can form complexes with various anions.

How is Methyl 5-formyl-3-thiophenecarboxylate (CAS: 67808-66-6) typically synthesized?

Methyl 5-formyl-3-thiophenecarboxylate can be synthesized through the reaction of thiophene-3-carboxylic acid and methanol in the presence of a strong acid catalyst like sulfuric acid. The reaction involves esterification, where the carboxylic acid group reacts with methanol to form the methyl ester derivative. The yield of the product is typically around 85%, and the process is carried out under heating conditions to enhance the reaction rate.

What industries use Methyl 5-formyl-3-thiophenecarboxylate (CAS: 67808-66-6)?

Methyl 5-formyl-3-thiophenecarboxylate is utilized in various industries, including pharmaceuticals, where it serves as a precursor to medicinals. It is also used in the production of polymers for advanced materials, as a starting material for chemical sensors, and in the synthesis of semiconductor materials due to its unique chemical properties.

What precautions should be taken when handling Methyl 5-formyl-3-thiophenecarboxylate (CAS: 67808-66-6)?

When handling Methyl 5-formyl-3-thiophenecarboxylate, it is crucial to wear appropriate personal protective equipment (PPE), including gloves, safety goggles, and a lab coat. Ensure the use of a fume hood to minimize inhalation risks. In case of a spill, immediately clean up using absorbent paper and dispose of it properly. Refer to the Material Safety Data Sheet (MSDS) for detailed safety information and emergency procedures.