Description

1-Hydroxy-1,3-dihydro-2,1-benzoxaborole-7-carbaldehyde (CAS No. 1195621-75-0) is a high-purity benzoxaborole derivative with the molecular formula C₈H₇BO₃. This compound features a unique benzoxaborole core functionalized with a hydroxy group at the 1-position and a carbaldehyde moiety at the 7-position, making it a versatile intermediate for pharmaceutical and agrochemical research. Its IUPAC name is 1-hydroxy-3H-2,1-benzoxaborole-7-carbaldehyde, and it is also known as PI3K/Akt-IN-C89, highlighting its potential as an inhibitor in kinase signaling pathways. Suitable for use in organic synthesis, medicinal chemistry, and biochemical studies, this product is rigorously tested for quality and consistency. Available in various quantities to meet your research needs, it is supplied with comprehensive analytical data including ¹H NMR, ¹³C NMR, and HPLC purity reports.

Properties

• CAS Number: 1195621-75-0
• Complexity: 185
• IUPAC Name: 1-hydroxy-3H-2,1-benzoxaborole-7-carbaldehyde
• InChI: InChI=1S/C8H7BO3/c10-4-6-2-1-3-7-5-12-9(11)8(6)7/h1-4,11H,5H2
• InChI Key: YIPWTYBOCAQUHT-UHFFFAOYSA-N
• Exact Mass: 162.0488242
• Molecular Formula: C8H7BO3
• Molecular Weight: 161.95
• SMILES: B1(C2=C(CO1)C=CC=C2C=O)O
• Topological: 46.5
• Monoisotopic Mass: 162.0488242
• Synonyms: 1195621-75-0, 1-Hydroxy-1,3-dihydro-2,1-benzoxaborole-7-carbaldehyde, 818-169-1, 1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborole-7-carbaldehyde, PI3K/Akt-IN-C89, MFCD22393303, 1-hydroxy-3H-2,1-benzoxaborole-7-carbaldehyde, SCHEMBL1232037, YIPWTYBOCAQUHT-UHFFFAOYSA-N, GLXC-21243, VXB62175, TQ0119, CS-0100851, D80065, EN300-315899, 7-formyl-1-hydroxy-1,3-dihydro-2,1-benzoxaborole, Z1504687909

Application

1-Hydroxy-1,3-dihydro-2,1-benzoxaborole-7-carbaldehyde is a valuable building block in medicinal chemistry, particularly for the development of PI3K/Akt pathway inhibitors. Its benzoxaborole scaffold is known for its bioisosteric properties, making it useful in drug discovery for infectious diseases and cancer therapeutics. Researchers also employ this compound in the synthesis of novel boron-containing heterocycles for agrochemical applications. Its aldehyde functionality allows for further derivatization via condensation or nucleophilic addition reactions.

Safety and Hazards

GHS Hazard Statements

• H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (100%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2A (100%)
• STOT SE 3 (100%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.