38373-44-3

Basic information

• Product Name: 5-chloro-2-methoxy-pyrimidine
• Synonyms: 5-chloro-2-methoxy-pyrimidine;Pyrimidine, 5-chloro-2-methoxy- (9CI);5-CHLORO-2-METHOXYPYRIMIDINE,PURITY:95% MIN(HPLC)
• CAS NO: 38373-44-3
• Molecular Formula: C₅H₅ClN₂O
• Molecular Weight: 144.559
• Product Categories: PYRIMIDINE
• Mol File: 38373-44-3.mol
• Article Data: 1

Chemical Properties

• Melting Point: 50-55°C
• Boiling Point: 234.5 °C at 760 mmHg
• Flash Point: 97℃
• Appearance: /
• Density: 1.292 g/cm³
• Vapor Pressure: 0.0805mmHg at 25°C
• Refractive Index: 1.52
• Storage Temp.: 2-8°C
• PKA: -0.22±0.22(Predicted)
• CAS DataBase Reference: 5-chloro-2-methoxy-pyrimidine(CAS DataBase Reference)
• NIST Chemistry Reference: 5-chloro-2-methoxy-pyrimidine(38373-44-3)
• EPA Substance Registry System: 5-chloro-2-methoxy-pyrimidine(38373-44-3)

Safety Data

• Hazard Codes: Xn
• Statements: 22-41
• Safety Statements: 26-39
• WGK Germany: 3
• Hazardous Substances Data: 38373-44-3(Hazardous Substances Data)

Usage

General Description

5-Chloro-2-methoxy-pyrimidine is a chemical compound with the molecular formula C5H5ClN2O. It is a derivative of pyrimidine and contains a chlorine atom and a methoxy group attached to the pyrimidine ring. This chemical is primarily used in the pharmaceutical and agrochemical industries as a building block in the synthesis of various pharmaceuticals and agrochemicals. It is also used in the production of organic compounds and as an intermediate in the synthesis of complex molecules. 5-Chloro-2-methoxy-pyrimidine is a versatile and important chemical compound with various industrial applications.

InChI:InChI=1/C5H5ClN2O/c1-9-5-7-2-4(6)3-8-5/h2-3H,1H3

Upstream product

• 67-56-1 methanol 
• 22536-67-0 2,5-dichloropyrimidine 
• 124-41-4 sodium methylate 

Downstream Products

• 1140502-20-0 5-[5-(2-methoxypyrimidin-5-yl)-1H-benzimidazol-1-yl]-3-({(1R)-1-[2-chlorophenyl]ethyl}oxy)thiophene-2-carboxamide 

Relevant articles and documents

Pharmacological Evaluation of Novel Bioisosteres of an Adamantanyl Benzamide P2X7 Receptor Antagonist

Adamantanyl benzamide 1 was identified as a potent P2X7R antagonist but failed to progress further due to poor metabolic stability. We describe the synthesis and SAR of a series of bioisosteres of benzamide 1 to explore improvements in the pharmacological properties of this lead. Initial efforts investigated a series of heteroaromatic bioisosteres, which demonstrated improved physicochemical properties but reduced P2X7R antagonism. Installation of bioisosteric fluorine on the adamantane bridgeheads was well tolerated and led to a series of bioisosteres with improved physicochemical properties and metabolic stability. Trifluorinated benzamide 34 demonstrated optimal physicochemical parameters, superior metabolic stability (ten times longer than lead benzamide 1), and an improved physicokinetic profile and proved effective in the presence of several known P2X7R polymorphisms.