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4-Fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol is a boronic ester derivative with the molecular formula C12H15BO3F. It is a chemical compound that serves as a versatile building block in organic synthesis, particularly in medicinal chemistry. 4-Fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol is known for its unique reactivity and is of significant interest to researchers for its potential in the development of new drugs and materials. Its boron-containing structure enhances its utility in various chemical reactions, making it a valuable component in the synthesis of complex molecules.

779331-49-6

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779331-49-6 Usage

Uses

Used in Pharmaceutical Development:
4-Fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol is used as a key intermediate in the synthesis of pharmaceuticals for its ability to facilitate the creation of complex molecular structures. Its unique reactivity allows for the development of new drugs with improved efficacy and selectivity.
Used in Agrochemical Synthesis:
In the agrochemical industry, 4-Fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol is utilized as a building block for the synthesis of new agrochemicals, contributing to the development of more effective and targeted pesticides and other agricultural products.
Used in Materials Science:
4-Fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol is employed as a component in the development of advanced materials, leveraging its boron-containing structure to enhance the properties of these materials for various applications, such as in electronics, coatings, or composites.
Used in Organic Synthesis Research:
As a reagent, 4-Fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol is used in academic and industrial research settings to explore new synthetic pathways and develop innovative methods for the construction of complex organic molecules. Its versatility makes it a valuable tool in the hands of synthetic chemists.

Check Digit Verification of cas no

The CAS Registry Mumber 779331-49-6 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 7,7,9,3,3 and 1 respectively; the second part has 2 digits, 4 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 779331-49:
(8*7)+(7*7)+(6*9)+(5*3)+(4*3)+(3*1)+(2*4)+(1*9)=206
206 % 10 = 6
So 779331-49-6 is a valid CAS Registry Number.

779331-49-6SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-Fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol

1.2 Other means of identification

Product number -
Other names 5-Fluoro-2-hydroxyphenylboronic acid,pinacol ester

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:779331-49-6 SDS

779331-49-6Downstream Products

779331-49-6Relevant academic research and scientific papers

Ruthenium-catalyzed regio- And site-selective: Ortho C-H borylation of phenol derivatives

Homma, Yuki,Fukuda, Kazuishi,Iwasawa, Nobuharu,Takaya, Jun

supporting information, p. 10710 - 10713 (2020/10/02)

Efficient synthesis of o-borylphenols is achieved through the Ru-catalyzed regio- and site-selective sp2 C-H borylation of aryl diphenylphosphinites followed by removal of the phosphorus directing group. A successful application to aryl phosphites enables practical one-pot borylation of phenols, demonstrating high synthetic utility of this protocol.

Ir-Catalyzed ortho-Borylation of Phenols Directed by Substrate-Ligand Electrostatic Interactions: A Combined Experimental/in Silico Strategy for Optimizing Weak Interactions

Chattopadhyay, Buddhadeb,Dannatt, Jonathan E.,Andujar-De Sanctis, Ivonne L.,Gore, Kristin A.,Maleczka, Robert E.,Singleton, Daniel A.,Smith, Milton R.

supporting information, p. 7864 - 7871 (2017/06/20)

A strategy for affecting ortho versus meta/para selectivity in Ir-catalyzed C-H borylations (CHBs) of phenols is described. From selectivity observations with ArylOBpin (pin = pinacolate), it is hypothesized that an electrostatic interaction between the partial negatively charged OBpin group and the partial positively charged bipyridine ligand of the catalyst favors ortho selectivity. Experimental and computational studies designed to test this hypothesis support it. From further computational work a second generation, in silico designed catalyst emerged, where replacing Bpin with Beg (eg = ethylene glycolate) was predicted to significantly improve ortho selectivity. Experimentally, reactions employing B2eg2 gave ortho selectivities > 99%. Adding triethylamine significantly improved conversions. This ligand-substrate electrostatic interaction provides a unique control element for selective C-H functionalization.

Orthogonally Reacting Boron Coupling Reagents: A Novel Multicomponent-Multicatalytic Reaction [(MC)2R] of Dichlorovinylpyrazine

Rebelo, Jordan M.,Kress, Steffen,Friedman, Adam A.,Lautens, Mark

, p. 3155 - 3164 (2016/09/12)

The results presented herein illustrate the feasibility of two orthogonally reacting boron coupling reagents as a new control strategy in multicomponent-multicatalytic reaction [(MC)2R] chemistry. A process employing dichlorovinylpyrazine merging the rhodium-catalyzed hydroarylation with the Suzuki coupling has been discovered. Three new bonds are formed in a one-pot, one-step process efficiently providing highly substituted diaza-dihydrodibenzoxepine products.

Rh/Pd catalysis with chiral and achiral ligands: Domino synthesis of aza-dihydrodibenzoxepines

Friedman, Adam A.,Panteleev, Jane,Tsoung, Jennifer,Huynh, Vaizanne,Lautens, Mark

, p. 9755 - 9758 (2013/09/23)

A game of dominoes: A synthetic route to aza-dihydrodibenzoxepines is described, through the combination of a Rh-catalyzed arylation and a Pd-catalyzed C-O coupling in a single pot. For the first time, the ability to incorporate a chiral and an achiral ligand in a two-component, two-metal transformation is achieved, giving the products in moderate to good yields, with excellent enantioselectivities. Copyright

NOVEL COMPOUNDS

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Page 105, (2010/02/09)

The invention relates to substituted phenoxyacetic acids (I) as useful pharmaceutical compounds for treating respiratory disorders, pharmaceutical compositions containing them, and processes for their preparation

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