5-Methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarboxylic Acid Methyl Ester | CAS No. 72242-31-0

5-Methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarboxylic Acid Methyl Ester

Basic Information

CAS Number

72242-31-0

Molecular Formula

C13H12N2O4S

Molecular Weight

292.31 g/mol

AD

Basic Physical Properties

Density

1.385±0.06 g/cm3 (20 ºC 760 Torr),

Solubility

Insuluble (1.9E-3 g/L) (25 ºC),

CC1=CC(=C(S1)NC2=CC=CC=C2[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C13H12N2O4S/c1-8-7-9(13(16)19-2)12(20-8)14-10-5-3-4-6-11(10)15(17)18/h3-7,14H,1-2H3

InChIKey

ATSANGLCFQGIMM-UHFFFAOYSA-N

LogP

4.09110

Complexity

374

Synonyms & References

English

  • ATSANGLCFQGIMM-UHFFFAOYSA-N
  • 72242-31-0
  • Methyl5-methyl-2-((2-nitrophenyl)amino)thiophene-3-carboxylate
  • Methyl 2-(2-nitroanilino)-5-methylthiophene-3-carboxylate
  • SCHEMBL4870138
  • 5-Methyl-2-(2-nitro-phenylamino)-thiophene-3-carboxylic acid methyl ester
  • METHYL 5-METHYL-2-[(2-NITROPHENYL)AMINO]THIOPHENE-3-CARBOXYLATE
  • Methyl 5-methyl-2-((2-nitrophenyl)amino)thiophene-3-carboxylate
  • Methyl 2-(2-nitroanilino)-5-methvlthiophene-3-carboxvlate
  • 5-Methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarboxylic Acid Methyl Ester
  • DTXSID40598895
  • methyl 5-methyl-2-(2-nitroanilino)thiophene-3-carboxylate
  • AKOS000282896
  • 3-Thiophenecarboxylicacid, 5-methyl-2-[(2-nitrophenyl)amino]-, methyl ester
  • 5-METHYL-2-(2-NITRO-PHENYLAMINO)-THIOPHENE-3-CARBOXYLIC ACID METHYL ESTER
  • 5-methyl-2-(2-nitro-anilino)-thiophene-3-carboxylic acid methyl ester
  • methyl 2-(2-nitroanilino)-5-methylthiophene-3-carboxylate
  • methyl 5-methyl-2-(2-nitrophenylamino)thiophene-3-carboxylate
  • QC-6116

MDL Number

MFCD09833440

Customs Code

2934999090

FAQ

What are the physical and chemical properties of 5-Methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarboxylic Acid Methyl Ester (CAS: 72242-31-0)?

5-Methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarboxylic Acid Methyl Ester (CAS: 72242-31-0) is a crystalline solid with a molecular weight of approximately 353.2 g/mol. It has a low solubility in water but is soluble in organic solvents such as dichloromethane and acetonitrile. This compound is reactive and susceptible to hydrolysis under basic conditions. It is typically stored at room temperature away from moisture and light.

How is 5-Methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarboxylic Acid Methyl Ester (CAS: 72242-31-0) typically synthesized?

5-Methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarboxylic Acid Methyl Ester (CAS: 72242-31-0) can be synthesized via a multi-step process involving the coupling of 2-nitroaniline and thiophenecarboxylic acid methyl ester. The reaction typically uses an appropriate coupling agent like EDC and DMAP under mild conditions. The yield is usually around 70-80%.

What industries use 5-Methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarboxylic Acid Methyl Ester (CAS: 72242-31-0)?

5-Methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarboxylic Acid Methyl Ester (CAS: 72242-31-0) is used in the pharmaceutical industry for its potential as a precursor in drug synthesis, and in the chemical industry for its application as a functional group in various polymers and sensors. Its use in semiconductors is limited due to its low solubility in common solvents and reactivity.

What precautions should be taken when handling 5-Methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarboxylic Acid Methyl Ester (CAS: 72242-31-0)?

When handling 5-Methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarboxylic Acid Methyl Ester (CAS: 72242-31-0), it is important to use proper personal protective equipment (PPE) such as gloves, goggles, and a lab coat. This compound should be stored in a dry, well-ventilated area away from heat and moisture. Spills should be cleaned up using appropriate absorbents, and the area should be thoroughly rinsed with water. Always consult the Safety Data Sheet (SDS) for detailed handling instructions.

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