80550-76-1

Basic information

• Product Name: 2-(CHLOROMETHYL)[1]BENZOFURO[3,2-D]PYRIMIDIN-4(3H)-ONE
• Synonyms: 2-(chloromethyl)-1H-[1]benzofuro[3,2-d]pyrimidin-4-one
• CAS NO: 80550-76-1
• Molecular Formula: C₁₁H₇ClN₂O₂
• Molecular Weight: 234.64
• Mol File: 80550-76-1.mol
• Article Data: 1

Chemical Properties

• Melting Point: 258 °C (decomp)
• Boiling Point: 405.4°C at 760 mmHg
• Flash Point: 199°C
• Appearance: /
• Density: 1.59g/cm³
• Vapor Pressure: 8.79E-07mmHg at 25°C
• Refractive Index: 1.729
• PKA: 9.19±0.20(Predicted)
• CAS DataBase Reference: 2-(CHLOROMETHYL)[1]BENZOFURO[3,2-D]PYRIMIDIN-4(3H)-ONE(CAS DataBase Reference)
• NIST Chemistry Reference: 2-(CHLOROMETHYL)[1]BENZOFURO[3,2-D]PYRIMIDIN-4(3H)-ONE(80550-76-1)
• EPA Substance Registry System: 2-(CHLOROMETHYL)[1]BENZOFURO[3,2-D]PYRIMIDIN-4(3H)-ONE(80550-76-1)

Safety Data

• Hazardous Substances Data: 80550-76-1(Hazardous Substances Data)

Usage

General Description

2-(Chloromethyl)[1]benzofuro[3,2-d]pyrimidin-4(3H)-one is a chemical compound with a complex molecular structure. It contains a benzofuro ring and a pyrimidin-4(3H)-one ring, along with a chloromethyl group. This chemical compound has potential applications in medicinal chemistry, such as in the development of pharmaceutical drugs. Its unique structure and properties make it an interesting target for further research and investigation to explore its potential uses and effects in various applications.

InChI:InChI=1/C11H7ClN2O2/c12-5-8-13-9-6-3-1-2-4-7(6)16-10(9)11(15)14-8/h1-4H,5H2,(H,13,14,15)

Upstream product

• 54802-10-7 3-aminobenzofuran-2-carboxamide 
• 80551-19-5 3-chloroacetylamino-2-benzofurancarboxamide 

Downstream Products

• 80550-96-5 2-[(4-Chloro-phenylamino)-methyl]-3H-benzo[4,5]furo[3,2-d]pyrimidin-4-one 
• 80551-17-3 (4-Bromo-phenyl)-{2-[(4-bromo-phenylamino)-methyl]-benzo[4,5]furo[3,2-d]pyrimidin-4-yl}-amine 
• 80551-16-2 (4-Chloro-phenyl)-{2-[(4-chloro-phenylamino)-methyl]-benzo[4,5]furo[3,2-d]pyrimidin-4-yl}-amine 
• 80551-14-0 Benzyl-[2-(benzylamino-methyl)-benzo[4,5]furo[3,2-d]pyrimidin-4-yl]-amine 
• 80551-15-1 Phenyl-(2-phenylaminomethyl-benzo[4,5]furo[3,2-d]pyrimidin-4-yl)-amine 
• 80551-13-9 Cyclohexyl-(2-cyclohexylaminomethyl-benzo[4,5]furo[3,2-d]pyrimidin-4-yl)-amine 
• 33149-48-3 3,4-dihydro-2-methyl-4-oxobenzofuro<3,2-d>pyrimidine 
• 80550-97-6 2-[(4-Bromo-phenylamino)-methyl]-3H-benzo[4,5]furo[3,2-d]pyrimidin-4-one 
• 80550-93-2 2-(Benzylamino-methyl)-3H-benzo[4,5]furo[3,2-d]pyrimidin-4-one 
• 80550-98-7 2-[(4-Methoxy-phenylamino)-methyl]-3H-benzo[4,5]furo[3,2-d]pyrimidin-4-one 
• 80550-95-4 2-(p-Tolylamino-methyl)-3H-benzo[4,5]furo[3,2-d]pyrimidin-4-one 
• 80550-89-6 2-Cyclohexylaminomethyl-3H-benzo[4,5]furo[3,2-d]pyrimidin-4-one 

Relevant articles and documents

Studies in Benzofurans: Part XII - Synthesis and Reactions of 2-Chloromethyl-3,4-dihydro-4-oxobenzofuropyrimidine

Syntheses of 2-chloromethyl-3,4-dihydro-4-oxobenzofuropyrimidine (II) and 2-hydroxymethyl-3,4-dihydro-4-oxobenzofuropyrimidine (III) and their conversion into 2-chloromethyl-4-chlorobenzofuropyrimidine (IV) are reported.Various nucleophilic displacement reactions of II and IV have been investigated.