O-Methyl Dolutegravir

 化学構造式
1335210-35-9
CAS番号.
1335210-35-9
化学名:
别名:
英語名:
O-Methyl Dolutegravir
英語别名:
BNKY001-DL03;O-Methyl Dolutegravir;Dolutegravir O-Methyl Imp;Doultegravir O methyl impurity;Dolutegravir O-Methyl Impurity;(4r,12as)-n-((2,4-difluorophenyl)methyl)-3,4,6,8,12,12a-hexa...;(3S,7R)-N-[(2,4-difluorophenyl)methyl]-11-methoxy-7-methyl-9,12-dioxo-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide;(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-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;(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
CBNumber:
CB42729257
化学式:
C21H21F2N3O5
分子量:
433.41
MOL File:
1335210-35-9.mol

O-Methyl Dolutegravir 物理性質

沸点 :
684.3±55.0 °C(Predicted)
比重(密度) :
1.45±0.1 g/cm3(Predicted)
貯蔵温度 :
Sealed in dry,Room Temperature
酸解離定数(Pka):
10.70±0.40(Predicted)
安全性情報
  • リスクと安全性に関する声明
  • 危険有害性情報のコード(GHS)
HSコード  38220090
絵表示(GHS) GHS hazard pictograms
注意喚起語 警告
危険有害性情報
コード 危険有害性情報 危険有害性クラス 区分 注意喚起語 シンボル P コード
H302 飲み込むと有害 急性毒性、経口 4 警告 GHS hazard pictograms P264, P270, P301+P312, P330, P501
H315 皮膚刺激 皮膚腐食性/刺激性 2 警告 GHS hazard pictograms P264, P280, P302+P352, P321,P332+P313, P362
H319 強い眼刺激 眼に対する重篤な損傷性/眼刺激 性 2A 警告 GHS hazard pictograms P264, P280, P305+P351+P338,P337+P313P
H335 呼吸器への刺激のおそれ 特定標的臓器毒性、単回暴露; 気道刺激性 3 警告 GHS hazard pictograms
注意書き
P261 粉じん/煙/ガス/ミスト/蒸気/スプレーの吸入を避ける こと。
P305+P351+P338 眼に入った場合:水で数分間注意深く洗うこと。次にコ ンタクトレンズを着用していて容易に外せる場合は外す こと。その後も洗浄を続けること。

O-Methyl Dolutegravir 価格

メーカー 製品番号 製品説明 CAS番号 包装 価格 更新時間 購入

O-Methyl Dolutegravir 化学特性,用途語,生産方法

説明

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

使用

(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.

合成

(3S,11aR)-3-methyl-6-(methyloxy)-5,7-dioxo-2,3,5,7,11,11a- hexahydro[1,3]oxazolo [3,2-a]pyrido[1,2-d]pyrazine-8-carboxylic acid (100 gm) and carbonyl dimidazole (78.89 gm) was suspended in acetonitrile (1000 mL). The mixture was heated to 75°C and stirred for 1 hour. The resulting solution was cooled to a temperature of 20°C and treated with 2,4- difluorobenzyl amine solution (55.2 gm was dissolved in 200 mL of acetonitrile). The reaction mixture was maintained for 2 hours, concentrated, and the compound was extracted with ethyl acetate (1000 mL). Isopropyl alcohol (500 mL) was added at 40°C, stirred the reaction mass for 30 minutes at a temperature of 50°C, and cooled the reaction mass to 25°C. The reaction mixture was maintained for 8 hours at the same temperature. The product O-Methyl Dolutegravir was collected by filtration and dried under vacuum (85 gm).
説明図

O-Methyl Dolutegravir 上流と下流の製品情報

原材料

準備製品


O-Methyl Dolutegravir 生産企業

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1335210-35-9()キーワード:


  • 1335210-35-9
  • (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
  • Dolutegravir O-Methyl Imp
  • Dolutegravir impurity 5/O-Methyl Dolutegravir/(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
  • 2H-Pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide, N-[(2,4-difluorophenyl)methyl]-3,4,6,8,12,12a-hexahydro-7-methoxy-4-methyl-6,8-dioxo-, (4R,12aS)-
  • O-Methyl Dolutegravir
  • BNKY001-DL03
  • Dolutegravir O-Methyl Impurity
  • Doultegravir O methyl impurity
  • (4r,12as)-n-((2,4-difluorophenyl)methyl)-3,4,6,8,12,12a-hexa...
  • (3S,7R)-N-[(2,4-difluorophenyl)methyl]-11-methoxy-7-methyl-9,12-dioxo-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-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-carboxamide
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