1-hydroxy-3H-2,1-benzoxaborol-6-amine;hydrochloride


Chemical Name: 1-hydroxy-3H-2,1-benzoxaborol-6-amine;hydrochloride
CAS Number: 117098-93-8
Product Number: AG000DQ0(AGN-PC-0712T6)
Synonyms:
MDL No: MFCD04115645
Molecular Formula: C7H9BClNO2
Molecular Weight: 185.4159

Identification/Properties


Computed Properties
Molecular Weight:
185.414g/mol
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
185.041g/mol
Monoisotopic Mass:
185.041g/mol
Topological Polar Surface Area:
55.5A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
155
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:
2
Compound Is Canonicalized:
Yes

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NMR Spectrum


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Chemical Structure



6-Aminobenzo[c][1,2]oxaborol-1(3H)-ol hydrochloride, commonly known as $name$, serves as a versatile and valuable reagent in the realm of chemical synthesis. This compound, with its unique boron-containing structure, finds wide application in the formation of C-N, C-O, and C-S bonds through various coupling reactions.In organic synthesis, $name$ is frequently employed as a key building block for the preparation of a range of pharmaceuticals, agrochemicals, and materials. Its ability to serve as a source of both boronic acid and amino groups adds to its utility in the construction of complex molecular architectures. Additionally, the presence of the boron atom allows for selective transformations and functionalization, enhancing the synthetic efficiency and specificity of the reactions.Moreover, due to its stability and compatibility with a variety of reaction conditions, $name$ has become a favored reagent for the synthesis of heterocyclic compounds, amino acid derivatives, and other structurally diverse molecules. Its role in the development of novel chemical entities underscores its significance in advancing the frontiers of organic chemistry and drug discovery.