1335210-34-8

Basic information

• Product Name: (4R,12aS)-7-Methoxy-4-Methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-[1,3]oxazino[3,2-d]pyrido[1,2-a]pyrazine-9-carboxylic acid
• Synonyms: (4R,12aS)-7-Methoxy-4-Methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-[1,3]oxazino[3,2-d]pyrido[1,2-a]pyrazine-9-carboxylic acid;(4R,12aS)-3,4,6,8,12,12a-Hexahydro-7-methoxy-4-methyl-6,8-dioxo-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxylic acid;(4R,12aS)-7-methoxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2Hpyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxylic acid
• CAS NO: 1335210-34-8
• Molecular Formula: C14H16N2O6
• Molecular Weight: 308.28664
• Mol File: 1335210-34-8.mol
• Article Data: 7

Chemical Properties

• Boiling Point: 560.8±50.0 °C(Predicted)
• Appearance: /
• Density: 1.50±0.1 g/cm3(Predicted)
• PKA: 5.52±0.40(Predicted)
• CAS DataBase Reference: (4R,12aS)-7-Methoxy-4-Methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-[1,3]oxazino[3,2-d]pyrido[1,2-a]pyrazine-9-carboxylic acid(CAS DataBase Reference)
• NIST Chemistry Reference: (4R,12aS)-7-Methoxy-4-Methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-[1,3]oxazino[3,2-d]pyrido[1,2-a]pyrazine-9-carboxylic acid(1335210-34-8)
• EPA Substance Registry System: (4R,12aS)-7-Methoxy-4-Methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-[1,3]oxazino[3,2-d]pyrido[1,2-a]pyrazine-9-carboxylic acid(1335210-34-8)

Safety Data

• Hazardous Substances Data: 1335210-34-8(Hazardous Substances Data)

Usage

General Description

The chemical compound "(4R,12aS)-7-Methoxy-4-Methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-[1,3]oxazino[3,2-d]pyrido[1,2-a]pyrazine-9-carboxylic acid" is a complex heterocyclic structure with a fused oxazine and pyridopyrazine ring system. It contains a carboxylic acid moiety and a methoxy and methyl substituent. (4R,12aS)-7-Methoxy-4-Methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-[1,3]oxazino[3,2-d]pyrido[1,2-a]pyrazine-9-carboxylic acid has the potential to exhibit biological activity, particularly in the field of medicinal chemistry and drug discovery due to its diverse structural features and potential for molecular interactions. Further research and investigation are needed to fully understand and explore the potential applications and properties of this chemical compound.

Upstream product

• 61477-40-5 (R)-3-amino-1-butanol 
• 1335210-23-5 1-[2,2-bis(methyloxy)ethyl]-5-(methyloxy)-6-[(methyloxy)carbonyl]-4-oxo-1,4-dihydro-3-pyridinecarboxylic acid 
• 41051-15-4 4-methoxyacetoacetic acid methylester 
• 1335210-26-8 methyl 2-(((2,2-dimethoxyethyl)amino)methylene)-4-methoxy-3-oxobutanoate 
• 127958-23-0 methyl 2-[(dimethylamino)methylene]-4-methoxy-3-oxobutanoate 

Downstream Products

• 1656286-80-4 (4R,12aS)-N-(1-(2,4-difluorophenyl)cyclopropyl)-7-methoxy-4-methyl-6,8-dioxo-3,4,6,8, 12,12a-hexahydro-2H-[1,3]oxazino[3,2-d]pyrido[1,2-a]pyrazine-9-carboxamide 
• 1051375-16-6 dolutegravir 
• 1051375-19-9 (4R,12aS)-N-(2,4-difluorobenzyl)-7-hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1′,2′:4,5]pyrazino-[2,1-b][1,3]oxazine-9-carboxamide sodium salt 
• 1335210-35-9 (4R,12aS)-N-(2,4-difluorobenzyl)-7-methyloxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido [1',2',:4,5]pyrazino[2,1-b] [1,3]oxazine-9-carboxamide 

Relevant articles and documents

Dolutegravir derivative with biological activity as well as preparation method and application thereof

The invention relates to the technical field of pharmaceutical chemistry synthesis, in particular to a dolutegravir derivative with biological activity and a preparation method thereof. The structural formula of the derivative is shown in the specification, wherein R1 is methyl or hydrogen; R2 is methyl, isopropyl, phenyl, benzyl, a nitrogen-containing heterocyclic ring, a sulfur-containing heterocyclic ring or an oxygen-containing heterocyclic ring; and R3 is hydrogen, methyl, ethyl, phenyl, benzyl, a nitrogen-containing heterocyclic ring, a sulfur-containing heterocyclic ring or an oxygen-containing heterocyclic ring. The preparation method comprises the following steps of: deprotecting 1-(2, 2-dimethoxyethyl)-1, 4-dihydro-3-methoxy-4-oxo-2, 5-pyridinedicarboxylic acid-2-methyl ester to obtain aldehyde, cyclizing the aldehyde with aminobutanol, then carrying out acylation reaction on the cyclized aldehyde and an amino compound, and finally carrying out click reaction with azide to obtain a target compound. The derivative provided by the invention has proliferation inhibition activity on human tumor cells.

CONTINUES FLOW PROCESS FOR THE PREPARATION OF ACTIVE PHARMACEUTICAL INGREDIENTS - POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVES AND INTERMEDIATES THEREOF

The present invention discloses continues flow process for the preparation of polycyclic carbamoyl pyridone derivatives and intermediates thereof. In particular, the present invention discloses a process for the preparation of intermediate. Formule (V).

Preparation of Dolutegravir Intermediate Diastereomer

A convenient method was developed to prepare the diastereomer of dolutegravir tricyclic intermediate in the catalysis of EDCI/DMAP in up to 87% yield. Different solvents, temperature, and times were optimized. The synthesized diastereomer 6′ could be used as a standard for the industrial manufacture requirement of dolutegravir active pharmaceutical ingredient.