1104636-67-0

Basic information

• Product Name: 2-([1,1'-biphenyl]-4-yl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione
• Synonyms: 2-([1,1'-biphenyl]-4-yl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione
• CAS NO: 1104636-67-0
• Molecular Weight: 309.129
• Mol File: 1104636-67-0.mol
• Article Data: 8

Chemical Properties

• CAS DataBase Reference: 2-([1,1'-biphenyl]-4-yl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione(CAS DataBase Reference)
• NIST Chemistry Reference: 2-([1,1'-biphenyl]-4-yl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione(1104636-67-0)
• EPA Substance Registry System: 2-([1,1'-biphenyl]-4-yl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione(1104636-67-0)

Safety Data

• Hazardous Substances Data: 1104636-67-0(Hazardous Substances Data)

Usage

Class

Dioxaborocanes

Explanation

The compound belongs to the class of dioxaborocanes, which are organic compounds containing a boron atom bonded to two oxygen and two carbon atoms.

Explanation

The compound has a boron atom as a central element in its structure.

Explanation

The compound contains a methyl group (CH3), which is a common functional group in organic chemistry.

Explanation

The compound has a biphenyl group, which is a molecule consisting of two benzene rings connected by a single bond.

Explanation

Due to its unique chemical structure and properties, the compound is useful in various applications, such as pharmaceuticals, organic synthesis, and materials science.

Explanation

The compound's unique properties and functional groups make it a valuable building block for creating new compounds with potential use in a wide range of fields.

Boron atom

Present

Oxygen atoms

Two

Carbon atoms

Two

Methyl group

Present

Biphenyl group

Present

Applications

Pharmaceuticals, organic synthesis, and materials science

Building block for new compounds

Potential use

Upstream product

• 92-92-2 biphenyl-4-carboxylic acid 
• 4408-64-4 N-methyliminodiacetic acid 
• 13826-27-2 2,2'-bis(1,3,2-benzodioxaborole) 
• 17865-11-1 (4-(trimethylsilyl)phenyl)boronic acid 
• 98-80-6 phenylboronic acid 
• 24388-23-6 2-phenyl-4,4,5,5-tetramethyl-1,3,2-dioxoborole 
• 92-52-4 biphenyl 
• 39767-04-9 [1,1'-biphenyl]-4-dichloroborane 

Downstream Products

• 144432-80-4 2-(biphenyl-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane 
• 5122-94-1 4-biphenylboronic acid 
• 92-69-3 4-Phenylphenol 

Relevant articles and documents

Activation of Aryl Carboxylic Acids by Diboron Reagents towards Nickel-Catalyzed Direct Decarbonylative Borylation

The Ni-catalyzed decarbonylative borylation of (hetero)aryl carboxylic acids with B2cat2 has been achieved without recourse to any additives. This Ni-catalyzed method exhibits a broad substrate scope covering poorly reactive non-ortho-substituted (hetero)aryl carboxylic acids, and tolerates diverse functional groups including some of the groups active to Ni0 catalysts. The key to achieve this decarbonylative borylation reaction is the choice of B2cat2 as a coupling partner that not only acts as a borylating reagent, but also chemoselectively activates aryl carboxylic acids towards oxidative addition of their C(acyl)?O bond to Ni0 catalyst via the formation of acyloxyboron compounds. A combination of experimental and computational studies reveals a detailed plausible mechanism for this reaction system, which involves a hitherto unknown concerted decarbonylation and reductive elimination step that generates the aryl boronic ester product. This mode of boron-promoted carboxylic acid activation is also applicable to other types of reactions.

Phenoxy-Dialkoxy Borates as a New Class of Readily Prepared Preactivated Reagents for Base-Free Cross-Coupling

One of the most useful chemical transformations of organoboronic acids is the Suzuki–Miyaura cross-coupling reaction. Although it has vast application, it possesses some limitations: boronic acids can be difficult to quantify accurately due to their tendency to form oligomeric anhydrides and they must be activated under basic conditions. To address these problems, a new class of boronic acid derivatives is described. Phenoxy-dialkoxy borates are prepared under mild conditions and show good solubility in common organic solvents. These adducts can be used in base-free metal-catalysed cross-coupling reactions, including orthogonal reactions with MIDA boronates and trifluoroborates.