31646-53-4

Basic information

• Product Name: 4-(2-chloro-5-fluoro-pyrimidin-4-yl)-morpholine
• Synonyms: 4-(2-chloro-5-fluoro-pyrimidin-4-yl)-morpholine;4-(2-chloro-5-fluoro-4-pyrimidinyl)morpholine(SALTDATA: FREE);4-(2-chloro-5-fluoro-4-pyrimidinyl)morpholine;2-chloro-5-fluoro-4-morpholin-4-ylpyrimidine;2-chloro-5-fluoro-4-morpholin-4-yl-pyrimidine;2-chloro-5-fluoro-4-morpholinopyrimidine;2-chloro-5-fluoro-4-morpholino-pyrimidine
• CAS NO: 31646-53-4
• Molecular Formula: C₈H₉ClFN₃O
• Molecular Weight: 218
• Mol File: 31646-53-4.mol
• Article Data: 8

Chemical Properties

• Boiling Point: 380.9°C at 760 mmHg
• Flash Point: 184.2°C
• Appearance: /
• Density: 1.4g/cm³
• Vapor Pressure: 5.26E-06mmHg at 25°C
• Refractive Index: 1.545
• PKA: 3.25±0.40(Predicted)
• CAS DataBase Reference: 4-(2-chloro-5-fluoro-pyrimidin-4-yl)-morpholine(CAS DataBase Reference)
• NIST Chemistry Reference: 4-(2-chloro-5-fluoro-pyrimidin-4-yl)-morpholine(31646-53-4)
• EPA Substance Registry System: 4-(2-chloro-5-fluoro-pyrimidin-4-yl)-morpholine(31646-53-4)

Safety Data

• Hazard Codes: Xn
• Statements: 22
• Hazardous Substances Data: 31646-53-4(Hazardous Substances Data)

Usage

General Description

4-(2-chloro-5-fluoro-pyrimidin-4-yl)-morpholine is a chemical compound with a molecular formula C9H10ClFN4O. It is a morpholine derivative that contains a pyrimidine ring substituted with a chloro and a fluoro group. 4-(2-chloro-5-fluoro-pyrimidin-4-yl)-morpholine has potential pharmaceutical applications, particularly in the development of antiviral and antitumor drugs. It is commonly used as a building block in the synthesis of various biologically active compounds. The presence of the morpholine ring provides this compound with unique properties, making it useful in medicinal chemistry research. Additionally, its heterocyclic structure makes it a valuable tool in drug discovery and development. Overall, 4-(2-chloro-5-fluoro-pyrimidin-4-yl)-morpholine is a versatile chemical with significant potential in the pharmaceutical industry.

InChI:InChI=1/C8H9ClFN3O/c9-8-11-5-6(10)7(12-8)13-1-3-14-4-2-13/h5H,1-4H2

Upstream product

• 110-91-8 morpholine 
• 2927-71-1 2,4-dichloro-5-fluoropyrimidine 

Downstream Products

• 118121-89-4 4-(5-fluoro-2-hydrazinylpyrimidin-4-yl)morpholine 

Relevant articles and documents

Overcoming Time-Dependent Inhibition (TDI) of Cytochrome P450 3A4 (CYP3A4) Resulting from Bioactivation of a Fluoropyrimidine Moiety

Herein we describe structure-activity relationship (SAR) and metabolite identification (Met-ID) studies that provided insight into the origin of time-dependent inhibition (TDI) of cytochrome P450 3A4 (CYP3A4) by compound 1. Collectively, these efforts revealed that bioactivation of the fluoropyrimidine moiety of 1 led to reactive metabolite formation via oxidative defluorination and was responsible for the observed TDI. We discovered that substitution at both the 4- and 6-positions of the 5-fluoropyrimidine of 1 was necessary to ameliorate this TDI as exemplified by compound 19.

Antibacterial Compounds

The present invention provides a compound of the following formula, salts, racemates, diastereomers, enantiomers, esters, carbamates, phosphates, sulfates, deuterated forms and prodrugs thereof. Also provided is the use of these compounds as antibacterials, compositions comprising them and processes for their manufacture.

Facile and regioselective synthesis of novel 2,4-disubstituted-5- fluoropyrimidines as potential kinase inhibitors

2,4-Disubstituted-5-fluoropyrimidine is a biologically active molecular core seen in various anticancer agents such as 5-fluorouracil (5-FU). As part of a programme aimed at discovering kinase inhibitors, routes to two series of novel compounds (5-fluorop