871116-91-5 Usage
Description
2-(3-bromo-5-methylphenyl)acetonitrile is a chemical compound with the molecular formula C10H8BrN. It is a nitrile derivative of 3-bromo-5-methylphenylacetonitrile, with a molecular weight of 226.08 g/mol. 2-(3-bromo-5-methylphenyl)acetonitrile is a white to off-white solid with a melting point of 91-94 °C and is an important building block in the synthesis of various biologically active compounds.
Uses
Used in Pharmaceutical Industry:
2-(3-bromo-5-methylphenyl)acetonitrile is used as a reagent and intermediate for the production of pharmaceuticals. It plays a crucial role in the synthesis of various biologically active compounds, contributing to the development of new drugs and therapeutic agents.
Used in Agrochemical Industry:
In the agrochemical sector, 2-(3-bromo-5-methylphenyl)acetonitrile is utilized as a reagent and intermediate for the production of agrochemicals. Its application aids in the development of effective pesticides, herbicides, and other agricultural chemicals to enhance crop protection and yield.
Used in Organic Synthesis:
2-(3-bromo-5-methylphenyl)acetonitrile is used as a key intermediate in organic synthesis for the creation of fine chemicals. Its unique structure and properties make it a valuable component in the synthesis of specialty chemicals used across various industries.
Used in Research and Development:
2-(3-bromo-5-methylphenyl)acetonitrile is commonly used in research and development within the chemical and pharmaceutical industries. Its application in these fields facilitates the exploration of new chemical reactions, the discovery of novel compounds, and the advancement of scientific knowledge.
Check Digit Verification of cas no
The CAS Registry Mumber 871116-91-5 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 8,7,1,1,1 and 6 respectively; the second part has 2 digits, 9 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 871116-91:
(8*8)+(7*7)+(6*1)+(5*1)+(4*1)+(3*6)+(2*9)+(1*1)=165
165 % 10 = 5
So 871116-91-5 is a valid CAS Registry Number.
871116-91-5Relevant articles and documents
Synthesis 2 - (3 - bromo -5 - methylphenyl) acetonitrile
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Paragraph 0014-0016, (2021/10/05)
The invention relates to a preparation method 2 - (3 - bromo -5 - methylphenyl) acetonitrile. In particular 3, 5 - dibromotoluene is reacted with nitrilecacetic acid ester under the action of a copper reagent/base/additive/solvent -1, followed by solvent
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.
Regioisomerism in the synthesis of a chiral aminotetralin drug compound: Unraveling mechanistic details and diastereomer-specific in-depth NMR investigations
Schuisky, Peter,Federsel, Hans-Juergen,Tian, Wei
, p. 5503 - 5514 (2012/09/07)
During chemical process development of a novel 2-aminotetralin derivative intended for use as an antidepressant, scrutiny of the byproduct present in the drug molecule revealed a set of regioisomers. Detailed studies showed that this impurity issue origin
