171178-47-5

Basic information

• Product Name: 6-CHLORO-3H-PYRIDO[3,4-D]PYRIMIDIN-4-ONE
• Synonyms: 6-CHLORO-3H-PYRIDO[3,4-D]PYRIMIDIN-4-ONE;6-Chloropyrido[3,4-d]pyrimidin-4(3H)-one;6-chloroPyrido[3,4-d]pyriMidin-4-one;6-chloropyrido[3,4-d]pyrimidin-4(1H)-one;6-Chloropyrido[3,4-d]pyrimidin-4(3H)
• CAS NO: 171178-47-5
• Molecular Formula: C₇H₄ClN₃O
• Molecular Weight: 181.58
• EINECS: 604-604-1
• Mol File: 171178-47-5.mol
• Article Data: 12

Chemical Properties

• Boiling Point: 400.766ºC at 760 mmHg
• Flash Point: 196.176ºC
• Appearance: /
• Density: 1.668g/cm3
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.749
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• PKA: -1.26±0.20(Predicted)
• CAS DataBase Reference: 6-CHLORO-3H-PYRIDO[3,4-D]PYRIMIDIN-4-ONE(CAS DataBase Reference)
• NIST Chemistry Reference: 6-CHLORO-3H-PYRIDO[3,4-D]PYRIMIDIN-4-ONE(171178-47-5)
• EPA Substance Registry System: 6-CHLORO-3H-PYRIDO[3,4-D]PYRIMIDIN-4-ONE(171178-47-5)

Safety Data

• Hazardous Substances Data: 171178-47-5(Hazardous Substances Data)

Usage

General Description

6-CHLORO-3H-PYRIDO[3,4-D]PYRIMIDIN-4-ONE is a chemical compound with the molecular formula C7H4ClN3O. It is a derivative of pyridopyrimidine and is a heterocyclic compound containing a chlorine atom. 6-CHLORO-3H-PYRIDO[3,4-D]PYRIMIDIN-4-ONE has potential applications in medicinal chemistry and pharmaceutical research due to its unique structure and potential biological activity. It may have interactions with specific receptors or enzymes in biological systems, making it a valuable compound for further study in drug discovery and development. Its specific properties and potential uses will depend on its biological activity and pharmacological profile, both of which will need to be determined through further research and testing.

InChI:InChI=1/C7H4ClN3O/c8-6-1-4-5(2-9-6)10-3-11-7(4)12/h1-3H,(H,10,11,12)

Upstream product

• 77287-34-4 formamide 
• 58483-95-7 5‐amino‐2‐chloropyridine‐4‐carboxylic acid 
• 3473-63-0 formamidine acetic acid 
• 5326-23-8 6-Chloro-3-pyridinecarboxylic acid 
• 171178-45-3 tert-butyl (6-chloropyridin-3-yl)carbamate 
• 171178-46-4 5-[N-(tert-butoxycarbonyl)amino]-2-chloropyridine-4-carboxylic acid 
• 5350-93-6 6-Chloro-pyridin-3-ylamine 
• 463-52-5 formamidine 
• 6313-33-3 formamidine hydrochloride 

Downstream Products

• 171178-48-6 4,6-dichloro-pyrido<3,4-d>pyrimidine 
• 189680-98-6 6-dimethylamino-3H-pyrido[3,4-d]pyrimidin-4-one 
• 189680-99-7 4-chloro-6-(N,N-dimethylamino)-pyrido[3,4-d]pyrimidine 
• 202272-67-1 (1-benzyl-1H-indazol-5-yl)-(6-chloropyrido[3,4-d]pyrimidin-4-yl)-amine 
• 202272-97-7 (1-Benzyl-1H-indol-5-yl)-(6-chloro-pyrido[3,4-d]pyrimidin-4-yl)-amine 
• 202272-68-2 GW2974 
• 202272-71-7 (2-benzyl-1H-benzimidazol-5-yl)-(6-chloro-pyrido[3,4-d]pyrimidin-4-yl)-amine 
• 602167-17-9 6-chloro-3-(3-fluoro-benzyl)-3H-pyrido[3,4-d]pyrimidin-4-one 
• 845639-56-7 4-(6-chloro-4-oxopyrido[3,4-d]pyrimidin-3-ylmethyl)benzoic acid tert-butyl ester 
• 1594729-07-3 6-(3-fluorophenyl)pyrido[3,4-d]pyrimidin-4-amine 
• 183741-98-2 6-methoxypyrido[3,4-d]pyrimidin-4(3H)-one 

Relevant articles and documents

A convergent strategy towards febrifugine and related compounds

We report a modular five step synthetic route to the febrifugines that employs 2-(chloromethyl)allyl-trimethylsilane as a conjunctive reagent for the coupling of the piperidine and quinazolinone groups. We also demonstrate the application of a recent Rh-catalyzed quinazolinone synthesis for the facile generation of febrifugine analogs.

A pyrido [3,4-d] pyrimidine -4 (3H)-one derivatives method for the preparation of

Belonging to the field of chemical synthesis, the invention discloses a preparation method for a pyridine[3, 4-d]pyrimidine-4(3H)-one derivative. The method includes: taking a 3-aminopyridine-4-carboxylic acid compound and an amidine compound as raw materials, adopting sodium acetate as a nucleophilic catalyst, subjecting the reaction system to reflux reaction for 4-10h in an organic solvent, and carrying out TLC detection, washing, extraction, concentration, beating and filtering so as to obtain the product pyridine[3, 4-d]pyrimidine-4(3H)-one derivative. The 3-aminopyridine-4-carboxylic acid compound, the amidine compound and sodium acetate are in a mole ratio of 1:3-5:2-4. The method provided by the invention has the advantages of easily available raw materials, mild reaction condition, well operable after-treatment, higher yield, and easy realization of large scale production.

Synthesis of Functionalized Pyridines via a Regioselective Oxazoline Promoted C-H Amidation Reaction

The first Rh-catalyzed C-H amidation of pyridines is reported. The incorporation of a substituent at the C2 position both is crucial to the success of this transformation and provides considerable scope for further elaboration of the resulting products. Among these compounds, 2-chloropyridines allow access to a selection of intermediates including a versatile azaquinazoline scaffold.