80099-81-6

Basic information

• Product Name: 3-BENZOYL-2-CHLOROPYRIDINE
• Synonyms: 2-CHLORO-3-PYRIDINYL) PHENYL METHANONE;3-BENZOYL-2-CHLOROPYRIDINE;(2-Chloropyridin-3-yl)(phenyl)Methanone
• CAS NO: 80099-81-6
• Molecular Formula: C₁₂H₈ClNO
• Molecular Weight: 217.65
• Mol File: 80099-81-6.mol

Chemical Properties

• Boiling Point: 356.8 °C at 760 mmHg
• Flash Point: 169.6 °C
• Appearance: /
• Density: 1.26 g/cm³
• Storage Temp.: 2-8°C
• PKA: -1.35±0.10(Predicted)
• CAS DataBase Reference: 3-BENZOYL-2-CHLOROPYRIDINE(CAS DataBase Reference)
• NIST Chemistry Reference: 3-BENZOYL-2-CHLOROPYRIDINE(80099-81-6)
• EPA Substance Registry System: 3-BENZOYL-2-CHLOROPYRIDINE(80099-81-6)

Safety Data

• Hazardous Substances Data: 80099-81-6(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
3-Benzoyl-2-chloropyridine is used as an intermediate in the synthesis of pharmaceuticals for its ability to contribute to the development of new drugs. Its versatility in chemical reactions allows it to be a key component in creating various medicinal compounds.
Used in Agrochemical Industry:
In the agrochemical sector, 3-Benzoyl-2-chloropyridine is utilized as an intermediate in the synthesis of agrochemicals, playing a role in the production of substances that help protect crops and enhance agricultural productivity.
Used in Organic Compounds Synthesis:
3-Benzoyl-2-chloropyridine is used as a building block in the production of other organic compounds, contributing to the diversity of chemical products that can be derived from its structure.
Used in Research and Development:
3-BENZOYL-2-CHLOROPYRIDINE is also used in research and development settings as a valuable tool for exploring new chemical reactions and developing innovative applications in the organic chemistry field. Its high purity and stability make it ideal for scientific experimentation and advancement.

InChI:InChI=1/C12H8ClNO.ClH/c13-12-10(7-4-8-14-12)11(15)9-5-2-1-3-6-9;/h1-8H;1H

Upstream product

• 5424-19-1 3-Benzoylpyridine 
• 78948-09-1 acetyl hypofluorite 
• 29022-36-4 3-benzoylpyridine N-oxide 
• 80100-23-8 (2-chloropyridin-3-yl)(phenyl)methanol 
• 2942-59-8 2-chloronicotinic acid 
• 100-52-7 benzaldehyde 
• 109-09-1 2-chloropyridine 
• 98-88-4 benzoyl chloride 
• 611-74-5 N,N-dimethylbenzamide 
• 100-58-3 phenylmagnesium bromide 
• 6919-61-5 N-methoxy-N-methylbenzamide 
• 488149-34-4 2-chloro-N-methoxy-N-methyl-pyridine-3-carboxamide 

Downstream Products

• 3810-10-4 2-amino-3-benzoylpyridine 
• 65452-77-9 3-phenyl-1H-pyrazolo[3,4-b]pyridine 
• 116834-95-8 1-methyl-3-phenyl-pyrazolo<3,4-b>pyridine 
• 79574-77-9 3-benzoyl-N-methylpyridin-2-amine 
• 130277-16-6 2-amino-3-benzylpyridine 
• 178548-60-2 N-(3-Benzoyl-2-pyridyl)-N-methylacetamide 
• 125867-44-9 5-phenyl-6,7,8,9-tetrahydrobenzo<1,8>naphthiridine 
• 80100-23-8 (2-chloropyridin-3-yl)(phenyl)methanol 
• 103284-61-3 2-[(2-aminoethyl)-thio]-3-benzoyl-pyridine.HCl 
• 1186034-40-1 3-phenylthieno[2,3-b]pyridine 
• 1357295-45-4 1-{[3-(1-phenylethenyl)pyridin-2-yl]sulfanyl}ethyl acetate 
• 1345682-58-7 2-(ethylsulfanyl)-3-(1-phenylethenyl)pyridine 
• 1345682-63-4 2-(ethylsulfinyl)-3-(1-phenylethenyl)pyridine 
• 1345682-53-2 [2-(ethylsulfanyl)pyridin-3-yl]phenylmethanone 

Relevant articles and documents

Difluorocarbene-triggered cyclization: Synthesis of (hetero)arene-fused 2,2-difluoro-2,3-dihydrothiophenes

An efficient method for the synthesis of (hetero)arene-fused 2,2-difluoro-2,3-dihydrothiophene derivatives using readily available sodium chlorodifluoroacetate (ClCF2CO2Na) has been developed. This transformation is achieved through a combination of a thi

Formation of Aryl [1-Cyano-4-(dialkylamino)butadienyl] Ketones from Pyridines

Treatment of 2-chloropyridine with LDA and the Weinreb amide of benzoic acid afforded three unusual products, namely N -methylbenzamide, 2-chloropyridine-3-methanol, and the ring-opened addition product. This same final product could also be obtained from 2-chloro-3-benzoylpyridine on treatment with LDA. Mechanistic insight for the formation of these products is provided.

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Azine and Diazine Functionalization Using 2,2,6,6-Tetramethylpiperidino-Based Lithium-Metal Combinations: Application to the Synthesis of 5,9-Disubstituted Pyrido[3′,2′:4,5]pyrrolo[1,2- c ]pyrimidines

The synthesis of triaryl methanols was investigated by reacting different 4-metalated 2-substituted pyrimidines with diaryl ketones, the latter being generated by deprotocupration-aroylation of azine and diazine substrates. Cyclization of the triaryl meth

Efficient two-step access to azafluorenones and related compounds

Crystals of a lithiocuprate prepared from copper(I) chloride and lithium 2,2,6,6-tetramethylpiperidide (2 equiv) were isolated and analyzed by X-ray diffraction as (TMP)2Cu(Cl)Li2·THF. The observation of this species is consistent with its having a role in deprotocupration- aroylation. Phenyl pyridyl ketones, phenyl quinolyl ketones, and phenyl thienyl ketones were prepared in tetrahydrofuran using the lithiocuprate and aroyl chorides as electrophiles. Diaryl ketones bearing a chloro group at the 2 position (of a pyridyl or phenyl group) thus synthesized were next converted through palladium-catalyzed ring closure to polycycles of the 5H-indeno[1,2-b]pyridin-5-one, 11H-indeno[1,2-b]quinolin-11-one, 9H-indeno[2,1-c]pyridin-9-one, and 8H-indeno[2,1-b]thiophen-8-one families.

Synthesis of azafluorenones and related compounds using deprotocupration-aroylation followed by intramolecular direct arylation

The efficiency of the deprotocupration-aroylation of 2-chloropyridine using lithiocuprates prepared from CuX (X=Cl, Br) and LiTMP (TMP=2,2,6,6- tetramethylpiperidido, 2 equiv) was investigated. CuCl was identified as a more suitable copper source than CuBr for this purpose. Different diaryl ketones bearing a halogen at the 2 position of one of the aryl groups were synthesized in this way from azines and thiophenes. These were then involved in palladium-catalyzed ring closure: substrates underwent expected CH-activation-type arylation to afford fluorenone-type compounds, and were also subjected to cyclization reactions leading to xanthones, notably in the presence of oxygen-containing substituents or reagents.

Synthesis of 3-arylthieno[2,3-b]-, -[2,3-c]- or -[3,2-c]pyridines utilizing an interrupted pummerer reaction

An efficient procedure for the synthesis of three types of thienopyridines has been developed. Thus, 3-(1-arylethenyl)-2-(ethylsulfinyl)pyridines, 4-(1-arylethenyl)-3-(ethylsulfinyl)pyridines, and 3-(1-arylethenyl)-4- (ethylsulfinyl)pyridines, which can be easily prepared from the respective aryl chloropyridinyl ketones in a three-step sequence, undergo an interrupted Pummerer reaction on treatment with excess acetic anhydride at temperatures ranging from 100 to 130 C to give 3-arylthieno[2,3-b]pyridines, 3-aryl-thieno[2,3-c]pyridines, and 3-arylthieno[3,2-c]pyridines, respectively. Georg Thieme Verlag Stuttgart - New York.

Deprotonative metalation of aromatic compounds by using an amino-based lithium cuprate

Deprotonative cupration of aromatic compounds by using amino-based lithium cuprates was optimized with 2,4-dimethoxypyrimidine and 2-methoxypyridine as the substrates and benzoyl chloride as the electrophile. [(tmp)2CuLi] (+2 LiCl) (tmp=2,2,6,6-tetramethylpiperidino) was identified as the best reagent and its use was extended to anisole, 1,4-dimethoxybenzene, other substituted pyridines, furan, thiophene and derivatives, and N-Boc-indole (Boc=tert-butyloxycarbonyl). Of the electrophiles employed to attempt the interception of the generated aryl cuprates, aroyl chlorides, iodomethane, and diphenyl disulfide efficiently reacted. In addition, different oxidative agents were identified to afford symmetrical biaryls. Finally, palladium-catalyzed coupling with aryl halides was optimized and allowed the synthesis of different aryl derivatives in medium to good yields.

Deprotonative metalation of chloro- and bromopyridines using amido-based bimetallic species and regioselectivity-computed CH acidity relationships

A series of chloro- and bromopyridines have been deprotometalated by using a range of 2,2,6,6-tetramethylpiperidino-based mixed lithium-metal combinations. Whereas lithium-zinc and lithium-cadmium bases afforded different mono- and diiodides after subsequent interception with iodine, complete regioselectivities were observed with the corresponding lithium-copper combination, as demonstrated by subsequent trapping with benzoyl chlorides. The obtained selectivities have been discussed in light of the CH acidities of the substrates, determined both in the gas phase and as a solution in THF by using the DFT B3LYP method.