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2-Methyl-2-[3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-propionitrile is a chemical compound characterized by its molecular formula C17H23BO2N. It is a nitrile derivative that features a boron atom within its structure, which endows it with unique chemical reactivity and properties. 2-Methyl-2-[3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-propionitrile is widely recognized for its role in organic synthesis and medicinal chemistry, where it serves as a reagent for the incorporation of boron atoms into organic molecules.

1160502-10-2

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1160502-10-2 Usage

Uses

Used in Organic Synthesis:
2-Methyl-2-[3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-propionitrile is used as a reagent in organic synthesis for the introduction of boron atoms into organic molecules. Its presence in the molecule allows for a variety of chemical reactions and transformations, making it a valuable building block in the creation of complex organic structures.
Used in Medicinal Chemistry:
In the field of medicinal chemistry, 2-Methyl-2-[3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-propionitrile is utilized as a key intermediate in the preparation of pharmaceuticals. Its unique properties and reactivity contribute to the development of new drugs with improved therapeutic profiles.
Used in the Preparation of Agrochemicals:
2-Methyl-2-[3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-propionitrile is also employed in the agrochemical industry, where it serves as a precursor for the synthesis of various agrochemicals. Its ability to introduce boron atoms into molecules makes it a useful component in the development of new pesticides and other agricultural products.
Used in the Development of Materials:
2-Methyl-2-[3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-propionitrile is further utilized in the materials industry, where its unique chemical properties are harnessed to create new materials with specific characteristics. The incorporation of boron atoms can enhance the properties of these materials, making them suitable for various applications.

Check Digit Verification of cas no

The CAS Registry Mumber 1160502-10-2 includes 10 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 7 digits, 1,1,6,0,5,0 and 2 respectively; the second part has 2 digits, 1 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 1160502-10:
(9*1)+(8*1)+(7*6)+(6*0)+(5*5)+(4*0)+(3*2)+(2*1)+(1*0)=92
92 % 10 = 2
So 1160502-10-2 is a valid CAS Registry Number.

1160502-10-2SDS

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 2-methyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propanenitrile

1.2 Other means of identification

Product number -
Other names QC-2468

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:1160502-10-2 SDS

1160502-10-2Relevant academic research and scientific papers

Discovery of selective, orally bioavailable pyrazolopyridine inhibitors of protein kinase cθ (pkcθ) that ameliorate symptoms of experimental autoimmune encephalomyelitis

Collier, Philip N.,Twin, Heather C.,Knegtel, Ronald M. A.,Boyall, Dean,Brenchley, Guy,Davis, Christopher J.,Keily, Shazia,Mak, Chau,Miller, Andrew,Pierard, Fran?oise,Settimo, Luca,Bolton, Clare M.,Chiu, Peter,Curnock, Adam,Doyle, Elisabeth,Tanner, Adam J.,Jimenez, Juan-Miguel

supporting information, p. 1134 - 1139 (2019/08/27)

PKCθ plays an important role in T cell biology and is a validated target for a number of disease states. A series of potent and selective PKCθ inhibitors were designed and synthesized starting from a HTS hit compound. Cell activity, while initially a challenge to achieve, was built into the series by transforming the nitrile unit of the scaffold into a primary amine, the latter predicted to form a new hydrogen bond to Asp508 near the entrance of the ATP binding site of PKCθ. Significant improvements in physiochemical parameters were observed on introduction of an oxetane group proximal to a primary amine leading to compound 22, which demonstrated a reduction of symptoms in a mouse model of multiple sclerosis.

[1H- PYRAZOLO [3, 4-B] PYRIDINE-4-YL] -PHENYLE OR -PYRIDIN-2-YLE DERIVATIVES AS PROTEIN KINASE C-THETA

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Page/Page column 108, (2009/07/17)

The present invention relates to compounds of formula (I) and (IA) useful as inhibitors of protein kinase (1a). The invention also provides pharmaceutically acceptable compositions comprising said compounds and methods of using the compositions in the treatment of various disease, conditions, or disorders. The invention also provides processes for preparing compounds of the inventions. (a) : in particular protein kinase C theta, wherein A and A' are independently -N- or -C(R+) -. Ring B is five- or six-membered saturated carbocyclic or heterocyclic R1, R2, R3, R4, R5, R6, R7, x and y are as described herein.

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