tert-butyl 2-bromo-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate


Chemical Name: tert-butyl 2-bromo-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate
CAS Number: 949922-62-7
Product Number: AG006QF7(AGN-PC-02C5LR)
Synonyms:
MDL No:
Molecular Formula: C12H16BrNO2S
Molecular Weight: 318.2299

Identification/Properties


Properties
Storage:
2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
318.229g/mol
XLogP3:
3.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
317.009g/mol
Monoisotopic Mass:
317.009g/mol
Topological Polar Surface Area:
57.8A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
305
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

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H332-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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Chemical Structure



Thieno[3,2-c]pyridine-5(4H)-carboxylic acid, 2-bromo-6,7-dihydro-, 1,1-dimethylethyl ester is a versatile compound that finds widespread application in chemical synthesis. With its unique structure and properties, this compound is frequently used as a valuable building block in the synthesis of various organic molecules. Its incorporation into organic synthesis processes can lead to the development of novel pharmaceuticals, agrochemicals, materials, and more. The reactivity of the bromine atom present in the molecule makes it a useful precursor for the introduction of other functional groups, enabling the creation of diverse chemical structures. Researchers and chemists often utilize this compound to access complex molecular architectures in a controlled and efficient manner. Its presence in the synthetic toolkit contributes significantly to the advancement of organic chemistry research and the discovery of new chemical entities.