155-12-4

Basic information

• Product Name: 2-CHLORO-5-FLUOROPYRIMIDIN-4-ONE
• Synonyms: 2-CHLORO-5-FLUOROPYRIMIDIN-4-ONE;2-Chloro-5-fluoro-pyrimidin-4-ol;4(1H)-Pyrimidinone, 2-chloro-5-fluoro- (9CI);2-Chloro-4-hydroxy-5-fluoropyrimidine;2-chloro-5-fluoro-1H-pyrimidin-6-one;4(3H)-Pyrimidinone, 2-chloro-5-fluoro-;2-chloro-5-fluoro-4-hydroxypyrimidine;2-Chloro-5-fluoro-3H-pyriMidin-4-one
• CAS NO: 155-12-4
• Molecular Formula: C₄H₂ClFN₂O
• Molecular Weight: 148.5228832
• Product Categories: PYRIMIDINE
• Mol File: 155-12-4.mol
• Article Data: 10

Chemical Properties

• Melting Point: 176-177 °C(Solv: ethanol (64-17-5))
• Boiling Point: 178.5 °C at 760 mmHg
• Flash Point: 61.8 °C
• Appearance: /
• Density: 1.706 g/cm³
• Vapor Pressure: 0.985mmHg at 25°C
• Refractive Index: 1.601
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• PKA: 4.48±0.50(Predicted)
• CAS DataBase Reference: 2-CHLORO-5-FLUOROPYRIMIDIN-4-ONE(CAS DataBase Reference)
• NIST Chemistry Reference: 2-CHLORO-5-FLUOROPYRIMIDIN-4-ONE(155-12-4)
• EPA Substance Registry System: 2-CHLORO-5-FLUOROPYRIMIDIN-4-ONE(155-12-4)

Safety Data

• Hazardous Substances Data: 155-12-4(Hazardous Substances Data)

Usage

General Description

2-Chloro-5-fluoropyrimidin-4-one is a chemical compound with the molecular formula C4H2ClFN2O. It is an organic compound that belongs to the pyrimidine family and contains a chlorine and fluorine atom attached to the pyrimidine ring. 2-CHLORO-5-FLUOROPYRIMIDIN-4-ONE has potential applications in medicinal chemistry and pharmaceuticals due to its structural features and potential biological activities. It may be used as an intermediate in the synthesis of various pharmaceutical compounds and could also have potential biological or pharmacological activities. Its properties and applications make it an important compound in organic and medicinal chemistry research.

InChI:InChI=1/C4H2ClFN2O/c5-4-7-1-2(6)3(9)8-4/h1H,(H,7,8,9)

Upstream product

• 2927-71-1 2,4-dichloro-5-fluoropyrimidine 
• 51-21-8 5-fluorouracil 

Downstream Products

• 63650-58-8 2-benzyloxy-5-fluoro-3H-pyrimidin-4-one 
• 63650-49-7 2-butoxy-5-fluoropyrimidine-4(3H)-one 
• 63650-49-7 2-butoxy-5-fluoro-4(1H)-pyrimidone 
• 63650-55-5 2-n-Hexyloxy-5-fluoropyrimidin-4-one 

Relevant articles and documents

Tautomerism of 5-fluoro-4-hydroxy-2-methoxypyrimidine. Conditions for stabilization of the zwitterionic tautomer

5-Fluoro-4-hydroxy-2-methoxypyrimidine exists in a solution as two oxo tautomers with the conjugated and isolated double bonds in the ring. The latter tautomer has a zwitterionic structure, and it dominates in water and trifluoroethanol. 5-Fluoro-4-hydroxy-2-methoxypyrimidine in acidic medium gives rise to an equilibrium mixture of two protonated forms at a ratio of about ～1:1. The zwitterionic structure of 4-hydroxypyrimidines is stabilized if the solvent is capable for specific solvation via hydrogen bonding. Pleiades Publishing, Inc., 2006.

6-MEMBERED HETEROCYCLIC DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING SAME

A compound represented by Formula (I): wherein or the like Y1 is O or the like; Z1 is C(R4) or N; Z2a is C(R5a) or the like; Z3a is C(R6) or the like; R4, R5a and R6 are each independently a hydrogen atom or the like; R1 is substituted or unsubstituted aromatic carbocyclyl or the like; R2a, R2b, R2c and R2d are each independently a hydrogen atom or the like; X is N(R7a) or the like; R7a is a hydrogen atom or the like; R3 is or the like Ring B is a 6-membered aromatic carbocycle or the like; R9a and R10a are each independently halogen or the like; n is an integer from 1 to 5; m is an integer from 0 to 4; and p1 is an integer from 0 to 3, or a pharmaceutically acceptable salt thereof.

5-fluoro-uracil immunoassay

Novel conjugates of 5-fluoro-uracil and novel 5-fluoro-uracil immunogens and monoclonal antibodies generated by these immunogens which are useful in immunoassays for the quantification and monitoring of 5-fluoro-uracil in biological fluids.