1335210-35-9

Basic information

• Product Name: (4R,12aS)-N-(2,4-Difluorobenzyl)-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
• Synonyms: (4R,12aS)-N-(2,4-Difluorobenzyl)-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;(4R,12aS)-N-[(2,4-Difluorophenyl)methyl]-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-carboxamide;(4R,12aS)-N-(2,4-difluorobenzyl)-7-methoxy-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-car boxamide
• CAS NO: 1335210-35-9
• Molecular Formula: C₂₁H₂₁F₂N₃O₅
• Molecular Weight: 433.4053464
• Product Categories: CMLLYL
• Mol File: 1335210-35-9.mol
• Article Data: 7

Chemical Properties

• Boiling Point: 684.3±55.0 °C(Predicted)
• Appearance: /
• Density: 1.45±0.1 g/cm3(Predicted)
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: 10.70±0.40(Predicted)
• CAS DataBase Reference: (4R,12aS)-N-(2,4-Difluorobenzyl)-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(CAS DataBase Reference)
• NIST Chemistry Reference: (4R,12aS)-N-(2,4-Difluorobenzyl)-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(1335210-35-9)
• EPA Substance Registry System: (4R,12aS)-N-(2,4-Difluorobenzyl)-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(1335210-35-9)

Safety Data

• Hazardous Substances Data: 1335210-35-9(Hazardous Substances Data)

Usage

Description

Dolutegravir intermediate is a new synthetic intermediate of Dolutegravir. Dolutegravir is an integrase inhibitor used to treat human immunodeficiency virus (HIV)-1 infection.

Uses

(4R,12AS)-N-(2,4-Difluorobenzyl)-7-methoxy-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 is an intermediate in the preparation of dolutegravir, an integrase inhibitor for HIV-1 infection therapy.

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 
• 1616340-68-1 methyl 5-((2,4-difluorobenzyl)carbamoyl)-1-(2,2-dirnethoxyethyl)-3-methoxy-4-oxo-1,4-dihydropyridine-2-carboxylate 
• 72235-52-0 2,4-Difluoro-benzylamine 
• 1550-35-2 2,4-difluorobenzaldehyde 
• 41051-15-4 4-methoxyacetoacetic acid methylester 
• 1335210-34-8 (4R,12aS)-7-methoxy-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-carboxylic acid 

Downstream Products

• 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 
• 1051375-16-6 dolutegravir 

Relevant articles and documents

Dolutegravir key intermediate solvate polymorph as well as preparation method and application thereof

The invention discloses a dolutegravir key intermediate solvate polymorph as well as a preparation method and application thereof. An X-ray powder diffraction (XRPD) pattern of the polymorph has characteristic peaks at the following angles of 2 theta +/-0.2 degrees: 6.93, 7.84, 8.42, 9.58, 11.14+/-0.2, 12.00, 13.15, 15.04, 15.31, 15.67, 16.20, 16.95, 17.54, 19.18, 19.97, 21.29, 21.82, 22.36, 23.55, 26.00 and 28.47, wherein n ranges from 0.2 to 1.

A kind of improved lu tewei preparation process (by machine translation)

The present invention provides anti-aids drugs lu tewei improved preparation process, and for lu tewei bulk drug process control study of the diastereoisomeric synthetic intermediates 6' and its preparation method. The process for preparing the simple routes, simplified for intermediate purification processing, in addition this invention obtained the diastereoisomeric synthetic intermediates 6' help for lu tewei raw material preparation process of quality research. (by machine translation)

A new method for preparing lu Tewei (by machine translation)

A process for preparing lu Tewei (E) new method, relates to the field of pharmaceutical chemistry, comprising the following steps: step 1) by the compound (A) with 2, 4 - two fluorine animal pen amine condensation reaction to obtain compound (B) steps 2) compound (B) removing the aldehyde protecting group to obtain the compound (C) step 3) compound (C) with R - 3 - amino - 1 - butanol on the ring by the reaction of the compound (D) step 4) compound (D) by the methylation reaction to occur after lu Tewei (E). This invention adopts the new line, and to the continuous optimization of the reaction conditions, so that the overall yield is raised greatly, as the compound (A) as a starting material and calculate the total yield is 75% or more, in a single reaction yield is 90% or more. (by machine translation)