Name: 1-Hydroxy-1,3-dihydro-2,1-benzoxaborole-5-carbonitrile
Molecular Formula: C8H6BNO2
CAS#: 905710-80-7
SMILES: OB1OCC2=CC(C#N)=CC=C21
MDL#: MFCD22393302
Catalog#: H36212
Molecular weight: 158.95 g/mol
Other names:
- 1-Hydroxy-1,3-dihydrobenzo[c][1,2]oxaborole-5-carbonitrile
Fields of Interest: Organic Synthesis, drug discovery, medicinal chemistry, and boron-containing small molecule synthesis
Background & Applications:
1-Hydroxy-1,3-dihydro-2,1-benzoxaborole-5-carbonitrile is a versatile benzoxaborole intermediate used in drug discovery, medicinal chemistry, and boron-containing small molecule synthesis. Identified by CAS 905710-80-7, this compound combines the distinctive reactivity of the benzoxaborole scaffold with a nitrile-functionalized aromatic core, making it a valuable building block for the development of novel pharmaceutical candidates and advanced heterocyclic intermediates.
In drug discovery, 1-Hydroxy-1,3-dihydro-2,1-benzoxaborole-5-carbonitrile is especially useful as a medicinal chemistry building block for the preparation of structurally diverse benzoxaborole derivatives. The benzoxaborole motif is widely recognized in pharmaceutical research for its ability to support unique interactions with biological targets, while the nitrile group can help expand synthetic options and fine-tune molecular properties during analog design. This makes the compound well suited for lead generation, SAR studies, library synthesis, and lead optimization across a range of therapeutic research programs.
Beyond pharmaceutical research, this benzoxaborole intermediate is also useful in chemical biology, boron-containing scaffold development, fragment-based research, and advanced organic synthesis. It can serve as a valuable precursor for the preparation of customized boron-based heterocycles and other specialty compounds used in both academic and industrial R&D.
As part of a broader portfolio of benzoxaborole intermediates and boron-containing building blocks, 1-Hydroxy-1,3-dihydro-2,1-benzoxaborole-5-carbonitrile offers researchers a flexible platform for drug discovery and specialty chemical applications.
Appearance: White solid
Purity: 98%
Storage: Store @ 3-5 °C
Solubility: DMSO, Acetonitrile, THF, MeOH
Literature: none found