[4-[N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]phenyl]boronic acid


Chemical Name: [4-[N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]phenyl]boronic acid
CAS Number: 1150114-67-2
Product Number: AG000FMA(AGN-PC-07XUEC)
Synonyms:
MDL No:
Molecular Formula: C17H20BNO4
Molecular Weight: 313.1560

Identification/Properties


Properties
Storage:
Keep in dry area;2-8℃;
Computed Properties
Molecular Weight:
313.16g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
5
Exact Mass:
313.149g/mol
Monoisotopic Mass:
313.149g/mol
Topological Polar Surface Area:
70A^2
Heavy Atom Count:
23
Formal Charge:
0
Complexity:
383
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:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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Chemical Structure



The compound (4-((tert-Butoxycarbonyl)(phenyl)amino)phenyl)boronic acid, also known as $name$, is a versatile building block in organic synthesis. It is commonly utilized as a key reagent in Suzuki-Miyaura cross-coupling reactions to form carbon-carbon bonds. This reaction is crucial in the construction of complex organic molecules, such as pharmaceuticals, agrochemicals, and materials. The boronic acid functionality plays a crucial role in the cross-coupling process by undergoing a transmetalation step with a palladium catalyst, enabling the coupling of two different organic fragments. This reaction provides chemists with a powerful tool for the efficient and selective formation of aryl-aryl bonds, allowing for the rapid diversification of chemical structures and the synthesis of valuable compounds with diverse functionalities. The application of (4-((tert-Butoxycarbonyl)(phenyl)amino)phenyl)boronic acid in chemical synthesis highlights its importance as a strategic building block for the design and preparation of biologically active molecules and advanced materials.