tert-butyl 5-bromo-2,3-dihydroindole-1-carboxylate


Chemical Name: tert-butyl 5-bromo-2,3-dihydroindole-1-carboxylate
CAS Number: 261732-38-1
Product Number: AG002S0H(AGN-PC-03GVO6)
Synonyms:
MDL No: MFCD08059280
Molecular Formula: C13H16BrNO2
Molecular Weight: 298.1756

Identification/Properties


Properties
MP:
124-126°C
BP:
362.9°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
298.18g/mol
XLogP3:
3.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
297.036g/mol
Monoisotopic Mass:
297.036g/mol
Topological Polar Surface Area:
29.5A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
300
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



The tert-Butyl 5-bromoindoline-1-carboxylate is a versatile compound that finds extensive application in chemical synthesis. With its unique structure and functional groups, this compound serves as a valuable building block in the creation of complex molecules and pharmaceutical intermediates. Its incorporation in synthetic pathways enables the introduction of the indoline moiety, which imparts desirable characteristics and properties to the final products. By serving as a key starting material, tert-Butyl 5-bromoindoline-1-carboxylate facilitates the synthesis of diverse chemical entities, making it a valuable tool for organic chemists and researchers in drug discovery and material science.