110100-00-0

Basic information

• Product Name: Ethanone, 1-(2-chloro-5-pyrimidinyl)- (9CI)
• Synonyms: Ethanone, 1-(2-chloro-5-pyrimidinyl)- (9CI);1-(2-Chloro-pyriMidin-5-yl)-ethanone;[1-(2-ChloropyriMidin-5-yl)etanone;1-(2-Chloropyrimidin-5-yl)
• CAS NO: 110100-00-0
• Molecular Formula: C₆H₅ClN₂O
• Molecular Weight: 156.5697
• Product Categories: PYRIMIDINE
• Mol File: 110100-00-0.mol

Chemical Properties

• Melting Point: 92 °C
• Boiling Point: 307.9±15.0 °C(Predicted)
• Appearance: /
• Density: 1.311±0.06 g/cm3(Predicted)
• Refractive Index: 1.538
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• PKA: -3.29±0.22(Predicted)
• CAS DataBase Reference: Ethanone, 1-(2-chloro-5-pyrimidinyl)- (9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: Ethanone, 1-(2-chloro-5-pyrimidinyl)- (9CI)(110100-00-0)
• EPA Substance Registry System: Ethanone, 1-(2-chloro-5-pyrimidinyl)- (9CI)(110100-00-0)

Safety Data

• Hazardous Substances Data: 110100-00-0(Hazardous Substances Data)

Usage

Uses

Used in Chemical Synthesis:
Ethanone, 1-(2-chloro-5-pyrimidinyl)(9CI) is used as a building block for the synthesis of 5-pyrimidinyl ketones with Mn(II) reagents. Its unique structure allows for the creation of a variety of complex molecules that can be utilized in different industries.
Used in Pharmaceutical Industry:
In the pharmaceutical industry, Ethanone, 1-(2-chloro-5-pyrimidinyl)(9CI) may be used as a key intermediate in the development of new drugs targeting various diseases. Its ability to form 5-pyrimidinyl ketones with Mn(II) reagents can lead to the creation of novel therapeutic agents with potential applications in treating a range of medical conditions.
Used in Research and Development:
Ethanone, 1-(2-chloro-5-pyrimidinyl)(9CI) can also be employed in research and development settings, where it can be used to study the properties and reactivity of chlorinated pyrimidinyl compounds. This knowledge can be applied to the design and synthesis of new molecules with specific biological activities or improved pharmaceutical properties.

InChI:InChI=1/C6H5ClN2O/c1-4(10)5-2-8-6(7)9-3-5/h2-3H,1H3

Upstream product

• 97674-02-7 tributyl(1-ethoxyvinyl)stannane 
• 32779-36-5 5-Bromo-2-chloropyrimidine 
• 122372-20-7 2-chloro-5-(α-ethoxyvinyl)pyrimidine 
• 917-54-4 methyllithium 
• 110099-99-5 2-CHLOROPYRIMIDINE-5-CARBONYLCHLORIDE 

Downstream Products

• 13426-94-3 N-methylbenzylamine hydrochloride 
• 1279822-48-8 1-(2-chloropyrimidin-5-yl) ethan-1-ol 
• 1279822-48-8 (S)-1-(2-chloropyrimidin-5-yl)ethanol 
• 265107-49-1 1-[2-(methylamino)pyrimidin-5-yl]ethanone 
• 1071323-12-0 1-(2-phenyl-pyrimidin-5-yl)-ethanone 
• 1569902-03-9 5-(1-methyl-prop-2-ynyl)-2-phenyl-pyrimidine 
• 1429200-46-3 1-(2-(((6-(bis(cyclopropylmethyl)amino)-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl)methyl)(3,5-bis(trifluoromethyl)benzyl)amino)pyrimidin-5-yl)ethanone 
• 1007883-29-5 2-bromo-1-(2-chloropyrimidin-5-yl)ethanone 
• 1254170-90-5 2-bromo-1-(2-bromopyrimidin-5-yl)ethanone 
• 1254171-25-9 5-(2-(2-chloro-6-fluorophenyl)-1H-imidazol-4-yl)-2-phenylpyrimidine 
• 110100-06-6 5-acetyl-1-benzyl-2(1H)-pyrimidinone 
• 87573-88-4 5-acetyl-2(1H)-pyrimidinone 

Relevant articles and documents

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5-(3-Bromophenyl)-7-(6-morpholin-4-ylpyridin-3-yl)pyrido[2,3-d] pyrimidin-4-ylamine: Structure-activity relationships of 7-substituted heteroaryl analogs as non-nucleoside adenosine kinase inhibitors

4-Amino-5,7-disubstituted pyridopyrimidines are potent, non-nucleoside inhibitors of adenosine kinase (AK). We recently identified a potent, orally efficacious analog, 4 containing a 7-pyridylmorpholine substituted ring system as the key structural element of this template. In this report, we disclose the pharmacologic effects of five- and six-membered heterocyclic ring replacements for the pyridine ring in 4. These replacements were found to have interesting effects on in vivo efficacy and genotoxicity as well as in vitro potency. We discovered that the nitrogen in the heterocyclic ring at C(7) is important for the modulation of mutagenic side effects (Ames assay).

Regiochemistry in Pd-Catalysed Organotin Reactions with Halopyrimidines

Chlorines in activated pyrimidine position is replaced by carbon substituents in Pd-catalysed reactions with organotin compounds.The 4(6)-position is more reactive than the 2-position allowing for regioselective coupling in 2,4(6)-dihalopyrimidines.A bromine substituent is required for coupling in the benzenoid 5-position.In 5-bromo-2,4-dichloropyrimidine the 4-chlorine is replaced before the 5-bromine and the latter before the 2-chloro substituent, all in a regioselective manner.The methodology can be used to introduce functionalized carbon substituents into any pyrimidine position.

Organomanganese(II) Reagents in the Synthesis of 5-Pyrimidinyl Ketones

Substituted alkyl 5-pyrimidinyl ketones were formed from acid chlorides of pyrimidine-5-carboxylic acids and alkylmanganese(II) iodides.The corresponding alcohols were also formed in the case of sterically less requiring organomanganese reagents and the a