3-Cyano-4-fluorobenzeneboronic acid pinacol ester

Name: 3-Cyano-4-fluorobenzeneboronic acid pinacol ester
Brand: ChemScene
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CAS No. 775351-57-0
Cat. No. CS-W000967
Purity≥97%
MDL No.MFCD06795681

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
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3-Cyano-4-fluorobenzeneboronic acid pinacol ester|CS-W000967

Structure of 775351-57-0

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General Information

CAS No. 775351-57-0
Cat. No. CS-W000967
Purity ≥97%
MDL No. MFCD06795681
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₃H₁₅BFNO₂
Molecular Weight 247.07
Synonym(s) Benzonitrile, 2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
SMILES N#Cc1cc(ccc1F)B1OC(C(O1)(C)C)(C)C

Description

3-Cyano-4-fluorobenzeneboronic acid pinacol ester features a boronate ester group that enhances stability and facilitates Suzuki-Miyaura cross-coupling reactions. The electron-withdrawing cyano and fluorine substituents enable precise tuning of reactivity, while the pinacol protection minimizes hydrolysis under standard conditions. This derivative offers improved shelf life and handling convenience in synthetic workflows.

Application

3-Cyano-4-fluorobenzeneboronic acid pinacol ester serves as a stable, bench-ready building block for Suzuki-Miyaura cross-coupling reactions. Its orthogonal functionality enables selective derivatization in complex molecule synthesis, with the cyano and fluoro groups offering established handles for further transformation. The pinacol ester moiety enhances solubility and stability while facilitating efficient coupling under standard conditions.

Synthesis

Route1
- 179897-89-3
- In-stock
  
  73183-34-3
- ~71%
- In-stock
  
  775351-57-0
References
- GLAXO GROUP LIMITED; BULLION, Ann, Marie; BUSCH-PETERSEN, Jakob; EVANS, Brian; NEIPP, Christopher, E.; MCCLELAND, Brent, W.; NEVINS, Neysa; WALL, Michael, D. Patent: WO2011/25799 A1, 2011 ; Location in patent: Page/Page column 50 ; WO 2011/025799 A1

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

TPSA 42.25
LogP 1.99658
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Boronic Acid And Its Ester

Building Blocks Functional Group Cyanide/Nitrile

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Material Science Material Composite Block Liquid Crystal (LC) Block

Material Science Material Building Blocks Liquid Crystal (LC) Building Blocks Benzeneboronic Acids

Key Words

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3-Cyano-4-fluorobenzeneboronic acid pinacol ester

CAS No. 775351-57-0

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