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2-(3-Pyridyl)benzoxazole is an organic compound with the molecular formula C12H8N2O. It is a heterocyclic aromatic molecule that features a benzoxazole ring fused with a pyridine ring. 2-(3-Pyridyl)benzoxazole is known for its potential applications in the field of medicinal chemistry, particularly as a building block for the synthesis of various pharmaceuticals and agrochemicals. The presence of both benzene and pyridine rings in its structure endows it with unique electronic properties, making it a valuable intermediate in the synthesis of complex molecules. Its chemical properties and reactivity can be influenced by the presence of the nitrogen atoms in both the benzoxazole and pyridine rings, which can participate in various chemical reactions, such as nucleophilic substitution, electrophilic aromatic substitution, and cycloadditions. The compound's structure and properties make it a subject of interest for researchers in the development of new materials and drugs.

2295-42-3

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2295-42-3 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 2295-42-3 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 2,2,9 and 5 respectively; the second part has 2 digits, 4 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 2295-42:
(6*2)+(5*2)+(4*9)+(3*5)+(2*4)+(1*2)=83
83 % 10 = 3
So 2295-42-3 is a valid CAS Registry Number.
InChI:InChI=1/C12H8N2O/c1-2-6-11-10(5-1)14-12(15-11)9-4-3-7-13-8-9/h1-8H

2295-42-3SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-pyridin-3-yl-1,3-benzoxazole

1.2 Other means of identification

Product number -
Other names R.750

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:2295-42-3 SDS

2295-42-3Relevant academic research and scientific papers

Regiodivergent Cross-Dehydrogenative Coupling of Pyridines and Benzoxazoles: Discovery of Organic Halides as Regio-Switching Oxidants

Yamada, Shuya,Murakami, Kei,Itami, Kenichiro

supporting information, p. 2415 - 2418 (2016/06/09)

Cross-dehydrogenative coupling (CDC) of two unfunctionalized heteroarenes has been recognized as an ideal transformation to synthesize privileged heterobiaryl scaffolds. However, regioselective activation and transformation of a specific set of two heterocyclic C-H bonds among other bonds have been extremely challenging. Thus, discovering a new controlling element to achieve regio-controlled and regio-divergent heterocyclic CDCs is considered crucial. In this Letter, the unprecedented use of organic halides as an oxidant to achieve the CDC reaction of pyridines and benzoxazoles with palladium catalyst is described. Moreover, the regioselectivity of the pyridine functionalization site can be controlled by the choice of organic halides.

Synthesis of 2-pyridinylbenzoxazole: Mechanism for the intramolecular photosubstitution of the haloarene with the carbonyl oxygen of the amide bond in basic medium

Park, Yong-Tae,Jung, Chang-Hee,Kim, Kwang-Wook,Kim, Ho Sik

, p. 8546 - 8556 (2007/10/03)

2-Pyridinylbenzoxazole derivatives have been synthesized by the intramolecular photosubstitution reaction of N-(2- halophenyl)pyridinecarboxamide (1 and 2) with its amide bond in basic medium. In neutral medium both intramolecular photosubstitution and photoreduction reactions occurred. In the photosubstitution reaction a singlet state of the o-haloarene is involved, whereas in the photoreduction a triplet state of the o-haloarene is involved; oxygen inhibited the photoreduction but not the photosubstitution. The relative rate studies showed that a base accelerates the photosubstitution reaction but decelerates the photoreduction. o- Iodoarenecarboxamide is more reactive than o-bromoarenecarboxamide, which in turn is more reacitive than o-chloroarenecarboxamide. UV-vis absorption change in the presence of a base showed that an imidol and/or imidolate anion is involved in the reaction. Several transient species, such as charge- transfer excited states and a cyclohexadienyl anion radical, have been identified from the photolysis of 1 and 2 in basic medium by laser flash photolysis. In neutral medium dibromide anion radical and a phenyl radical were identified in addition to the above intermediates. On the basis of the photokinetic and laser flash photolysis studies, an intramolecular photosubstitution of N-(o-halophenyl)pyridinecarboxamide with its amide bond occurs via an intramolecular S(N)(ET)Ar* mechanism to afford 2- pyridinylbenzoxazole derivative, and the photoreduction proceeds via a free radical mechanism to give N-phenylpyridinecarboxamide.

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