91225-70-6

Basic information

• Product Name: 2-(CHLOROMETHYL)-3,5,6,7-TETRAHYDRO-4H-CYCLOPENTA[4,5]THIENO[2,3-D]PYRIMIDIN-4-ONE
• Synonyms: IFLAB-BB F2117-0119;2-(CHLOROMETHYL)-3,5,6,7-TETRAHYDRO-4H-CYCLOPENTA[4,5]THIENO[2,3-D]PYRIMIDIN-4-ONE;2-Chloromethyl-3,5,6,7-tetrahydro-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
• CAS NO: 91225-70-6
• Molecular Formula: C10H9ClN2OS
• Molecular Weight: 240.71
• Mol File: 91225-70-6.mol
• Article Data: 5

Chemical Properties

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Appearance: /
• Density: 1.73g/cm³
• Refractive Index: 1.82
• CAS DataBase Reference: 2-(CHLOROMETHYL)-3,5,6,7-TETRAHYDRO-4H-CYCLOPENTA[4,5]THIENO[2,3-D]PYRIMIDIN-4-ONE(CAS DataBase Reference)
• NIST Chemistry Reference: 2-(CHLOROMETHYL)-3,5,6,7-TETRAHYDRO-4H-CYCLOPENTA[4,5]THIENO[2,3-D]PYRIMIDIN-4-ONE(91225-70-6)
• EPA Substance Registry System: 2-(CHLOROMETHYL)-3,5,6,7-TETRAHYDRO-4H-CYCLOPENTA[4,5]THIENO[2,3-D]PYRIMIDIN-4-ONE(91225-70-6)

Safety Data

• Hazardous Substances Data: 91225-70-6(Hazardous Substances Data)

Usage

General Description

2-(Chloromethyl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one is a chemical compound with the molecular formula C10H11ClN2OS. It is a heterocyclic compound that contains a thieno[2,3-d]pyrimidin-4-one core with a chloromethyl group attached to it. This chemical may have potential applications in pharmaceuticals, agrochemicals, or material science due to its unique structure and properties. Further research and investigation are needed to fully understand the potential uses and effects of this compound.

InChI:InChI=1/C10H9ClN2OS/c11-4-7-12-9(14)8-5-2-1-3-6(5)15-10(8)13-7/h1-4H2,(H,12,13,14)

Upstream product

• 4815-29-6 ethyl 2-amino-4H,5H,6H-cyclopentenothiophene-3-carboxylate 
• 107-14-2 chloroacetonitrile 
• 120-92-3 cyclopentanone 
• 77651-38-8 2-amino-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide 

Downstream Products

• 1321891-25-1 4-(4-chlorophenylthio)-6-(4-ethylpiperazin-1-ylmethyl)-2,3-dihydro-1H-8-thia-5,7-diazacyclopenta[a]indene 
• 1321891-26-2 4-(4-chlorophenylthio)-6-(4-methylpiperazin-1-ylmethyl)-2,3-dihydro-1H-8-thia-5,7-diazacyclopenta[a]indene 
• 1321891-27-3 4-(phenylthio)-6-(4-methylpiperazin-1-ylmethyl)-2,3-dihydro-1H-8-thia-5,7-diazacyclopenta[a]indene 
• 1321891-29-5 4-(4-methoxyphenylthio)-6-(4-methylpiperazin-1-ylmethyl)-2,3-dihydro-1H-8-thia-5,7-diazacyclopenta[a]indene 
• 1321891-32-0 4-phenylthio-6-(4-ethylpiperazin-1-yl-methyl)-2,3-dihydro-1H-8-thia-5,7-diazacyclopenta[a]indene 
• 1321891-33-1 4-(4-methoxyphenylthio)-6-(4-ethylpiperazin-1-yl-methyl)-2,3-dihydro-1H-8-thia-5,7-diazacyclopenta[a]indene 
• 1321891-39-7 4-(4-fluorophenylthio)-6-(4-ethylpiperazin-1-yl-methyl)-2,3-dihydro-1H-8-thia-5,7-diazacyclopenta[a]indene 
• 1321891-40-0 4-(4-fluorophenylthio)-6-(4-methylpiperazin-1-yl-methyl)-2,3-dihydro-1H-8-thia-5,7-diazacyclopenta[a]indene 

Relevant articles and documents

A Thieno[2,3- d]pyrimidine Scaffold Is a Novel Negative Allosteric Modulator of the Dopamine D2 Receptor

Recently, a novel negative allosteric modulator (NAM) of the D2-like dopamine receptors 1 was identified through virtual ligand screening. This ligand comprises a thieno[2,3-d]pyrimidine scaffold that does not feature in known dopaminergic ligands. Herein, we provide pharmacological validation of an allosteric mode of action for 1, revealing that it is a NAM of dopamine efficacy and identify the structural determinants of this allostery. We find that key structural moieties are important for functional affinity and negative cooperativity, while functionalization of the thienopyrimidine at the 5- and 6-positions results in analogues with divergent cooperativity profiles. Successive compound iterations have yielded analogues exhibiting a 10-fold improvement in functional affinity, as well as enhanced negative cooperativity with dopamine affinity and efficacy. Furthermore, our study reveals a fragment-like core that maintains low μM affinity and robust negative cooperativity with markedly improved ligand efficiency.

Convenient and efficient synthesis of some novel fused thieno pyrimidines using gewald's reaction

Several functionalized thienopyrimidines were synthesized by a facile synthetic method, which includes Gewald's reaction, and were characterized by spectral and analytical data. These functionalized thienopyrimidines were converted to various new chemical

Reaction of Nitriles Under Acidic Conditions. Part III. A Facile Synthesis of Thienopyrimidin-4(3H)-ones

A variety of thiophene o-aminoesters were reacted with cyanates, thiocyanates, cyanamides, acyl cyanides and α-functionalized acetonitrile derivatives to yield the corresponding 2-substituted thienopyrimidin-4(3H)-ones.