850568-79-5

Basic information

• Product Name: 6-(BOC-AMINO)-1-HYDROXY-2,1-BENZOXABOROLANE
• Synonyms: (5-AMINO-2-HYDROXYMETHYL)BENZENEBORONIC ACID, DEHYDRATE, BOC PROTECTED;5-BOC-AMINO-2-HYDROXYMETHYLPHENYLBORONIC ACID, DEHYDRATE;6-(BOC-AMINO)-1-HYDROXY-2,1-BENZOXABOROLANE;5-Amino-2-(hydroxymethyl)benzeneboronic acid, dehydrate, N-BOC protected;6-Amino-1-hydroxy-2,1-benzoxaborolane, N-BOC protected;5-Amino-2-(hydroxymethyl)benzeneboronic acid, dehydrate, N-BOC protected 98%;N-BOC-5-AMINO-2-(HYDROXYMETHYL)BENZENEBORONIC ACID, DEHYDRATE;5-(Boc-aMino)-2-(hydroxyMethyl)benzeneboronic acid heMiester, 98+%
• CAS NO: 850568-79-5
• Molecular Formula: C12H16BNO4
• Molecular Weight: 249.07
• Product Categories: Amines;blocks;BoronicAcids
• Mol File: 850568-79-5.mol

Chemical Properties

• Melting Point: 134-138
• Appearance: /
• Density: 1.2 g/cm³
• Refractive Index: 1.54
• Storage Temp.: 2-8°C
• CAS DataBase Reference: 6-(BOC-AMINO)-1-HYDROXY-2,1-BENZOXABOROLANE(CAS DataBase Reference)
• NIST Chemistry Reference: 6-(BOC-AMINO)-1-HYDROXY-2,1-BENZOXABOROLANE(850568-79-5)
• EPA Substance Registry System: 6-(BOC-AMINO)-1-HYDROXY-2,1-BENZOXABOROLANE(850568-79-5)

Safety Data

• Hazard Codes: Xi
• Hazardous Substances Data: 850568-79-5(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
6-(BOC-AMINO)-1-HYDROXY-2,1-BENZOXABOROLANE is used as an intermediate for the synthesis of pharmaceutical compounds. Its unique boronic acid group enables the development of drugs with targeted binding properties, allowing for the creation of more effective and selective therapeutic agents.
As an intermediate, 6-(BOC-AMINO)-1-HYDROXY-2,1-BENZOXABOROLANE plays a crucial role in the synthesis of various pharmaceutical agents, particularly those that require reversible binding to specific biological targets. This property makes it a valuable component in the development of drugs for a wide range of therapeutic applications, including but not limited to cancer treatment, inflammatory diseases, and neurological disorders.

InChI:InChI=1/C12H16BNO4/c1-12(2,3)18-11(15)14-9-5-4-8-7-17-13(16)10(8)6-9/h4-6,16H,7H2,1-3H3,(H,14,15)

Upstream product

• 118803-40-0 1-hydroxy-6-nitro-3H-2,1-benzoxaborole 
• 24424-99-5 di-tert-butyl dicarbonate 
• 117098-94-9 (5-amino-2-hydroxymethylphenyl)boronic acid 
• 5735-41-1 3H-benzo[c][1,2]oxaborol-1-ol 
• 40138-16-7 2-formylbenzene boronic acid 

Relevant articles and documents

Exploring boron applications in modern agriculture: A structure-activity relationship study of a novel series of multi-substitution benzoxaboroles for identification of potential fungicides

Several boron-containing small molecules have been approved by the US FDA to treat human diseases. We explored potential applications of boron-containing compounds in modern agriculture by pursuing multiple research and development programs. Here, we report a novel series of multi-substitution benzoxaboroles (1–36), a compound class that we recently reported as targeting geranylgeranyl transferase I (GGTase I) and thereby inhibiting protein prenylation (Kim et al., 2020). These compounds were designed, synthesized, and tested against the agriculturally important fungal pathogens Mycosphaerella fijiensis and Colletotrichum sublineolum in a structure–activity relationship (SAR) study. Compounds 13, 28, 30, 34 and 36 were identified as active leads with excellent antifungal MIC95 values in the range of 1.56–3.13 ppm against M. fijiensis and 0.78–3.13 ppm against C. sublineolum.

BORON CONTAINING COMPOUNDS AND THEIR USES

The present disclosure contemplates novel boron-containing compounds and their uses as active agents that exhibit pesticidal activity such as antimicrobial, insecticidal, arachnicidal, and/or anti parasitic activity. An agrochemical composition containing such a compound and its use in, animal health, agriculture, or horticulture is also contemplated. A method for promoting plant performance and/or controlling, reducing, preventing, ameliorating, or inhibiting microbes, insects, arachnids, and/or parasites on or in an animal, a plant, a plant part, plant propagation material, and/or harvested fruits or vegetables is also contemplated.