Methyl 5-bromo-3-[(trifluoroacetyl)amino]-2-thiophenecarboxylate | CAS No. 852330-31-5

Methyl 5-bromo-3-[(trifluoroacetyl)amino]-2-thiophenecarboxylate

Basic Information

CAS Number

852330-31-5

Molecular Formula

C8H5BrF3NO3S

Molecular Weight

332.1 g/mol

AD

Basic Physical Properties

COC(=O)C1=C(C=C(S1)Br)NC(=O)C(F)(F)F

InChI

InChI=1S/C8H5BrF3NO3S/c1-16-6(14)5-3(2-4(9)17-5)13-7(15)8(10,11)12/h2H,1H3,(H,13,15)

InChIKey

AUIUYLZMPYTXPA-UHFFFAOYSA-N

LogP

2.798

Topological Polar Surface Area

55.4 Ų

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

326

Synonyms & References

English

  • 5-bromo-3-(2,2,2-trifluoracetamido)thiophene-2-carboxylic acid methyl ester
  • Methyl 5-bromo-3-(2,2,2-trifluoroacetylamino)thiophene-2-carboxylate
  • SCHEMBL612016
  • 5-Bromo-3-(2,2,2-trifluoro-acetylamino)-thiophene-2-carboxylic acid methyl ester
  • Methyl 5-bromo-3-(2,2,2-trifluoroacetamido)thiophene-2-carboxylate
  • F70433
  • 852330-31-5
  • BS-44286
  • methyl 5-bromo-3-(2,2,2-trifluoro-acetylamino)-thiophene-2-carboxylate
  • methyl 5-bromo-3-[(2,2,2-trifluoroacetyl)amino]thiophene-2-carboxylate
  • DTXSID60719262
  • methyl 5-bromo-3-(trifluoroacetylamino)-2-thiophenecarboxylate
  • methyl 5-bromo-3-[(trifluoroacetyl)amino]thiophene-2-carboxylate
  • 5-BROMO-3-(2,2,2-TRIFLUORO-ACETYLAMINO)-THIOPHENE-2-CARBOXYLIC ACID METHYL ESTER
  • methyl 5-bromo-3-(2,2,2-trifluoroacetylamino)thiophene-2-carboxylate

MDL Number

MFCD19441860

Customs Code

2934999090

FAQ

What are the physical and chemical properties of Methyl 5-bromo-3-[(trifluoroacetyl)amino]-2-thiophenecarboxylate (CAS: 852330-31-5)?

Methyl 5-bromo-3-[(trifluoroacetyl)amino]-2-thiophenecarboxylate (CAS: 852330-31-5) has a crystalline form with a molecular weight of approximately 386.85 g/mol. It is slightly soluble in common organic solvents such as dimethylformamide (DMF) and acetonitrile. This compound is reactive towards nucleophiles and can undergo substitution reactions. It is also known for its reactivity with thiols and other nucleophilic reagents.

How is Methyl 5-bromo-3-[(trifluoroacetyl)amino]-2-thiophenecarboxylate (CAS: 852330-31-5) typically synthesized?

Methyl 5-bromo-3-[(trifluoroacetyl)amino]-2-thiophenecarboxylate (CAS: 852330-31-5) can be synthesized via the reaction of 2-bromo-3-aminothiophene with trifluoroacetic anhydride. The synthesis typically involves the formation of a trifluoroacetyl intermediate, followed by its coupling with the bromo-thiophene derivative. This method provides good yield and selectivity.

What industries use Methyl 5-bromo-3-[(trifluoroacetyl)amino]-2-thiophenecarboxylate (CAS: 852330-31-5)?

Methyl 5-bromo-3-[(trifluoroacetyl)amino]-2-thiophenecarboxylate (CAS: 852330-31-5) finds applications in pharmaceuticals, where it can be used as an intermediate in the synthesis of complex molecules. It is also utilized in the production of certain polymers and in the development of sensors and semiconductors due to its functional groups and reactivity.

What precautions should be taken when handling Methyl 5-bromo-3-[(trifluoroacetyl)amino]-2-thiophenecarboxylate (CAS: 852330-31-5)?

When handling Methyl 5-bromo-3-[(trifluoroacetyl)amino]-2-thiophenecarboxylate (CAS: 852330-31-5), safety goggles and gloves must be worn. It should be stored in a cool, dry place away from direct sunlight and heat sources. In case of spill, dispose of the material according to the SDS (Safety Data Sheet) and use a fume hood for all operations. Always refer to the latest SDS for detailed safety information.

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