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


Chemical Name: Methyl 3-bromo-4H-thieno[3,2-b]pyrrole-5-carboxylate
CAS Number: 1105187-36-7
Product Number: AG008U3G(AGN-PC-0712JS)
Synonyms:
MDL No:
Molecular Formula: C8H6BrNO2S
Molecular Weight: 260.1077

Identification/Properties


Computed Properties
Molecular Weight:
260.105g/mol
XLogP3:
2.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
258.93g/mol
Monoisotopic Mass:
258.93g/mol
Topological Polar Surface Area:
70.3A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
226
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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Chemical Structure



Methyl 3-bromo-4H-thieno[3,2-b]pyrrole-5-carboxylate is a versatile compound widely used in chemical synthesis for the development of novel organic molecules. As a key building block in organic chemistry, this compound plays a crucial role in the creation of various pharmaceuticals, agrochemicals, and materials. Its unique structural properties make it an essential intermediate in the synthesis of complex organic compounds with diverse applications. Researchers leverage its reactivity and stability to carry out synthetic transformations, including cross-coupling reactions, functional group interconversions, and heterocycle formation. By incorporating Methyl 3-bromo-4H-thieno[3,2-b]pyrrole-5-carboxylate into synthetic pathways, chemists can access a wide range of structurally diverse compounds, enhancing their ability to design new molecules with specific properties and functionalities.