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[ CAS No. 1335210-35-9 ] {[proInfo.proName]}

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Chemical Structure| 1335210-35-9
Chemical Structure| 1335210-35-9
Structure of 1335210-35-9 * Storage: {[proInfo.prStorage]}
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Product Details of [ 1335210-35-9 ]

CAS No. :1335210-35-9 MDL No. :MFCD29059073
Formula : C21H21F2N3O5 Boiling Point : -
Linear Structure Formula :- InChI Key :MOSMLVZNRGURDI-BZNIZROVSA-N
M.W : 433.41 Pubchem ID :53469002
Synonyms :

Calculated chemistry of [ 1335210-35-9 ]

Physicochemical Properties

Num. heavy atoms : 31
Num. arom. heavy atoms : 12
Fraction Csp3 : 0.38
Num. rotatable bonds : 5
Num. H-bond acceptors : 7.0
Num. H-bond donors : 1.0
Molar Refractivity : 108.95
TPSA : 89.87 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : Yes
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : Yes
CYP3A4 inhibitor : Yes
Log Kp (skin permeation) : -7.37 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.5
Log Po/w (XLOGP3) : 2.22
Log Po/w (WLOGP) : 1.96
Log Po/w (MLOGP) : 0.87
Log Po/w (SILICOS-IT) : 2.39
Consensus Log Po/w : 1.99

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 0.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -3.88
Solubility : 0.0568 mg/ml ; 0.000131 mol/l
Class : Soluble
Log S (Ali) : -3.74
Solubility : 0.0785 mg/ml ; 0.000181 mol/l
Class : Soluble
Log S (SILICOS-IT) : -5.16
Solubility : 0.00301 mg/ml ; 0.00000693 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 4.32

Safety of [ 1335210-35-9 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 1335210-35-9 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 1335210-35-9 ]

[ 1335210-35-9 ] Synthesis Path-Downstream   1~36

  • 1
  • [ 1335210-35-9 ]
  • dolutegravir [ No CAS ]
YieldReaction ConditionsOperation in experiment
92% With lithium bromide; In tetrahydrofuran; methanol; isopropyl alcohol; at 60℃; for 6h;Large scale; (4S,l2aR)-N-(2,4-Difluorobenzyl)-7-methoxy-4-methyl-6,8-dioxo-3,4,6,8, l2,l2a- hexahydro-2H-pyrido[r,2':4,5]pyrazino[2, l-b][l,3]oxazine-9-carboxamide (3.9 Kg, 9.0 moles) was demethylated with Lithium bromide (1.56 kg, 18.0 moles) in Methanol / IP AJ THF at temperature of 60C. After 6 hrs, the reaction mass was cooled to RT, treated with 10% Aq. HC1 solution and extracted in dichloromethane. The organic layer was concentrated & solid was isolated in isopropyl alcohol to yield Compound (I). (0277) HPLC purity : 99.0% (0278) Yield : 92.0%. (0279) Chiral Purity: 99.0%
43% With magnesium bromide; In acetonitrile; at 50℃; for 30h; Compound 7 (480 mg, 1.11 mmol) was dissolved in 9.12 ml of acetonitrile and anhydrous MgBr2 (470 mg, 2.55 mmol) was added.The mixture was placed in a 50 C oil bath and stirred for 30 h, and the reaction mixture was a white suspension.The reaction was quenched by adding 11.4 ml of hydrochloric acid, and the reaction solution was clarified, and the reaction solution was diluted with CH 2 Cl 2 and the pH was adjusted to about 1,The organic phase was separated, and the aqueous layer was extracted twice again with 11.4 ml of CH2Cl2.Add 3 ml AcOEt to dissolve, suction filtration, wash with a small amount of ethyl acetate.Drying to obtain 0.37 g of a colorless solid product of Compound I;The crude product was recrystallized from ethyl acetate and ethanol to give the dolutegravir I 0.18g(Rf = 0.46, TLC developer: CH2Cl2 / MeOH = 40/1 + 0.5% HOAc),As a white solid,The yield was 43%; the HPLC purity was 98.5%.
1.5 g With lithium bromide; In isopropyl alcohol; at 70 - 80℃; for 15h; (4R, 12aS)-N-(2,4-difluorobenzyl)-7-methoxy-4-methyl-6,8-dioxo-3 ,4,6,8, 12, 12a,-hexahydro-2H- pyrido[l ' ;2' :4,5]pyrazino[2, l -b][l ,3]oxazine-9-carboxamide (XVIII) (2 g, 0.0046 moles) was suspended in isopropyl alcohol (20 ml) and lithium bromide (0.8 g, 0.00924 moles) was added and stirred at 70-80C for 15 h to complete the reaction. After completion of reaction the reaction mass was acidified with 5N aqueous hydrochloric acid (5 ml) and concentrated. DM Water (20 ml) was added to the concentrated mass and stirred at 25-30C to crystallize the product. The product was filtered, washed with DM Water and dried to yield Dolutegravir (I) ( 1.5 g, HPLC purity: 97.93%).
67 g Anhydrous MgBr2 (202.1 g) was added to a solution of (4R,12aS)-N-(2,4-difluorobenzyl)-7- methyoxy-4-methyl-6, 8-dioxo-3, 4,6,8, 12, 12a-hexahydro-2H-pyrido[ 1 ' ,2' :4,5]pyrazino[2, 1- b][l,3]oxazine-9-carboximide (formula la, 120 g) in acetonitrile (480 mL). The reaction mixture was heated to 50-52 C for 8 hours. The reaction mixture was then cooled to 25-35 C and the acetonitrile layer was siphoned out. Methylene dichloride (1800 mL) and dilute HC1 solution (240 mL HC1 + 1056 mL water) was added to the residual mass, and the solution was stirred. The organic layer was separated off, washed with water, and the solvent was distilled off under reduced pressure. The residue was crystallized from methanol to obtain dolutegravir (67 g)-
With magnesium bromide hexahydrate; at 80℃; for 2h; To the reaction flask was charged acetonitrile (700g) andCompound C (90 g, 0.228 mol);Stirring heated to 50 ,Add acetic acid (13.7g, 1eq);Warmed to 60 ~ 65 ,R-3-Amino-1-butanol (22.3 g, 1.1 eq) was added dropwiseAcetonitrile (100 g);The reaction was stirred for 15 hours to liquid phase compound (D)After HPLC purity 98.0%, magnesium bromide hexahydrate (199.7 g, 3 eq)Heated to 80 , stirred for 2h;After the reaction is completed,Into 3% hydrochloric acid (830g) and methylene chloride (1200g);Layered, the water layer into dichloromethane (600g; layered, the combined organic layer was concentrated to dryness, into ethanol,Concentrate again to dryness to give duloxeuma (90.9% yield).

  • 3
  • [ 1335210-26-8 ]
  • [ 1335210-35-9 ]
  • 4
  • C13H16ClNO7 [ No CAS ]
  • [ 1335210-35-9 ]
  • 5
  • C10H16ClNO5 [ No CAS ]
  • [ 1335210-35-9 ]
  • 6
  • C8H12ClNO3 [ No CAS ]
  • [ 1335210-35-9 ]
  • 7
  • 1-(2,2-dimethoxy-ethyl)-3-methoxy-4-oxo-1,4-dihydro-pyridine-2,5-dicarboxylic acid dimethyl ester [ No CAS ]
  • [ 1335210-35-9 ]
  • 8
  • 1-(2,2-dimethoxyethyl)-3-methoxy-4-oxo-1,4-dihydro-pyridine-2,5-dicarboxylic acid dimethyl ester boron complex [ No CAS ]
  • [ 1335210-35-9 ]
  • 9
  • [ 1335210-34-8 ]
  • [ 72235-52-0 ]
  • [ 1335210-35-9 ]
YieldReaction ConditionsOperation in experiment
78% With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In acetonitrile; at 80℃; for 5h; Compound 6 (0.6 g, 1.95 mmol),1-ethyl-(3-dimethylaminopropyl)carbonic acid diimine hydrochloride (EDCI, 0.51 g, 2.65 mmol),2,4-difluorobenzylamine (0.29 ml, 2.44 mmol) in acetonitrile (10 ml) was heated to 80 C for 5 h.The reaction was quenched by the addition of 6 ml of water, the lower layer was a viscous yellow oily liquid, and the upper layer was suspended.The solvent of acetonitrile was evaporated under reduced pressure and suction filtered to give a crude material (yel.The crude product was recrystallized from AcOEt/petroleum ether = 4/1 solvent 15 ml to give compound 7 0.66 g(Rf = 0.25, TLC developer: AcOEt),The yield was 78%.
85 g (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 carbonyldimidazole (78.89 gm) were suspended in acetonitrile (1000 mL). The mixture was heated to a temperature of 75C and stirred for 1 hour. The resulting solution was cooled to a temperature of 20C 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 a temperature of 40C, stirred the reaction mass for 30 minutes at a temperature of 50C and the cooled the reaction mass to 25C. The reaction mixture was maintained for 8 hours at the same temperature. The product was collected by filtration and dried under vacuum (85 gm).
With 4-methyl-morpholine; chloroformic acid ethyl ester; In dichloromethane; at 0℃;Flow reactor; Large scale; A solution of l-(2,2-dimethoxyethyl)-5-methoxy-6-(methoxycarbonyl)-4-oxo-l,4- dihydropyridine-3 -carboxylic acid (V) in acetic acid / Dimethyl carbonate ( 5.0Kg, 15.8 moles) and methane sulfonic acid (533.0 g, 5.6 moles) were introduced in micro channel reactor. After residence time of 9 mins at l30C gives 5-methoxy- 6-(methoxycarbonyl)-4-oxo- 1 -(2-oxoethyl)- 1 ,4-dihydropyridine-3 -carboxylic acid (IVa). The reaction mixture was further introduced in a Tube Flow reactor and cyclised with solution of R-3 amino butanol ( 1.97 kg, 22.2 moles) in Dimethyl carbonate at l00C at a residence time of 5.15 mins followed by quenching with Aq HC1 solution. The organic layer containing (4S,l2aR)-7-methoxy-4-methyl- 6,8-dioxo-3,4,6,8,l2,l2a-hexahydro-2H-pyrido[r,2':4,5]pyrazino[2,l- b][l,3]oxazine-9-carboxylic acid (III) was separated and introduced in a Tube Flow Reactor with a solution of N-Methyl Morpholine (2.25 Kg, 22.22 moles) and a solution of 2,4-diflurobenzylamine(3.l8 kg, 22.2 moles) in MDC solvent and reacted in presence of Ethyl chloroformate (1.73 Kg, 20.63 moles) at 0C. After a residence time of l. l5mins yields (4S,l2aR)-N-(2,4-Difluorobenzyl)-7-methoxy- 4-methyl-6,8-dioxo-3,4,6,8,l2,l2a-hexahydro-2H-pyrido[r,2':4,5]pyrazino[2,l- b][l,3]oxazine-9-carboxamide (Ila) which was isolated in IPA after acid base workup. (0250) HPLC purity: 99.0% (0251) Yield: 80.0%.
  • 10
  • C16H18BNO11 [ No CAS ]
  • [ 1335210-35-9 ]
  • 12
  • C18H21BN2O10 [ No CAS ]
  • [ 1335210-35-9 ]
  • 13
  • [ 1335210-35-9 ]
  • [ 1051375-19-9 ]
YieldReaction ConditionsOperation in experiment
90% With methanol; sodium hydroxide; In butan-1-ol; at 100℃;Flow reactor; Large scale; A solution of (4S, l2aR)-N-(2,4-Difluorobenzyl)-7-methoxy-4-methyl-6,8-dioxo- 3,4,6,8, l2,l2a-hexahydro-2H-pyrido[r,2':4,5]pyrazino[2, l-b][l,3]oxazine-9- carboxamide (Ila) (3.9 Kg, 9.0 moles) in n-butanol was mixed with a solution of sodium hydroxide (3.6 kg, 90.0 moles) in methanol in Tube Flow Reactor at l00C with residence time of 20 mins to yield Sodium salt of Compound (I). (0260) HPLC purity : 99.0% (0261) Yield : 90.0%. (0262) Particle size :d90 NMT 15 pm.
90 g (3S,11aR)-N-[(2,4-difluorophenyl)methyl]-3-methyl-6-(methyloxy)-5,7-dioxo- 2,3,5, 7, 11,11 a-hexahydro[ 1 ,3 ]oxazolo[3 ,2-a]pyrido[ 1 ,2-d]pyrazine-8- carboxamide (100 gm) was dissolved in acetonitrile (1000 mL) and magnesium bromide hexahydrate (161 gm) was added. The mixture was heated to 80C for 2 hours, quenched with HC1 and then extracted with methylene dichloride. Methanol (1452 mL) and n-butanol (4840 mL) was added at a temperature of 27C and then the temperature of the reaction mass was raised to 77C. Stirred the reaction mass for 1 hour at the same temperature to get a clear solution. The reaction mass was cooled to a temperature of 37C and then methanolic sodium hydroxide was slowly added. Cooled the reaction mass to 25C and stirred for 20 hours. The product was filtered, washed with n-butanol and dried under vacuum (90 gm).
  • 14
  • dimethyl-1-allyl-3-methoxy-4-oxo-1,4-dihydropyridine-2,5-dicarboxylate [ No CAS ]
  • [ 1335210-35-9 ]
  • 15
  • C16H18BNO10 [ No CAS ]
  • [ 1335210-35-9 ]
  • 16
  • 1-allyl-5-methoxy-6-(methoxycarbonyl)-4-oxo-1,4-dihydropyridine-3-carboxylic acid [ No CAS ]
  • [ 1335210-35-9 ]
  • 17
  • methyl 1-allyl-5-(2,4-difluorobenzylcarbamoyl)-3-methoxy-4-oxo-1,4-dihydropyridine-2-carboxylate [ No CAS ]
  • [ 1335210-35-9 ]
  • 18
  • [ 61477-40-5 ]
  • methyl 5-(2,4-difluorobenzylcarbamoyl)-3-methoxy-4-oxo-1-(2-oxoethyl)-1,4-dihydropyridine-2-carboxylate [ No CAS ]
  • [ 1335210-35-9 ]
YieldReaction ConditionsOperation in experiment
66 g With acetic acid; In acetonitrile; at 70℃; for 12h;Inert atmosphere; Methyl l-allyl-5-(2,4-difluorobenzylcarbamoyl)-3-methoxy-4-oxo-l,4-dihydro pyridine-2- carboxylate (formula 3a, 100 g) in 5% aqueous tetrahydrofuran (1500 mL) was added to a three- neck round bottom flask. Ozone gas was then passed through the reaction mixture for 4 hours while maintaining the temperature at -20 to -10 C. The reaction mixture was then purged with nitrogen gas, the temperature was raised to 25-35 C, and water (1000 mL) and ethylacetate (1000 mL) were added. The reaction mixture was stirred and the organic layer was separated and washed with 5% sodium dithionite solution (300 mL). The organic layer was then washed with 10% NaCl solution (500 mL). The solvent was distilled off under reduced pressure residual mass obtained to this stripping with acetonitrile (100 mL). Residual mass was added into acetonitrile (400 mL) and acetic acid (30.61 g), the temperature was raised to 70 C, and a solution of 3R-aminobutanol (27.24 g) and acetonitrile (100 mL) was added. The solution was further stirred for 12 hours. The reaction mixture was cooled to 25-35 C, water (500 mL) was added, and the pH was adjusted to 8-9 using 10% NaOH solution (175 mL). The product was then extracted by adding methylene dichloride (500 mL) and the organic layer was separated out. Methylene dichloride (300 mL) was added to the aqueous layer and the layers were separated. The combined organic layers were washed with water (400 mL). The solvent was completely distilled off under reduced pressure to obtained a thick residue which was stripped with isopropyl alcohol (100 mL) and recrystallized from isopropyl alcohol (200 mL) and n-heptane (100 mL) to obtain (4R,12aS)-N-(2,4-difluorobenzyl)-7-methyoxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a- hexahydro-2H-pyrido [ ,2':4,5]pyrazino[2,l-b][l,3]oxazine-9-carboximide (formula la, 66 g).
With acetic acid; In acetonitrile; at 50 - 65℃; for 15h; To the reaction flask was charged acetonitrile (700g) andCompound C (90 g, 0.228 mol);Stirring heated to 50 ,Add acetic acid (13.7g, 1eq);Warmed to 60 ~ 65 ,R-3-Amino-1-butanol (22.3 g, 1.1 eq) was added dropwiseAcetonitrile (100 g);The reaction was stirred for 15 hours to liquid phase compound (D)After HPLC purity 98.0%, magnesium bromide hexahydrate (199.7 g, 3 eq)Heated to 80 , stirred for 2h;After the reaction is completed,Into 3% hydrochloric acid (830g) and methylene chloride (1200g);Layered, the water layer into dichloromethane (600g; layered, the combined organic layer was concentrated to dryness, into ethanol,Concentrate again to dryness to give duloxeuma (90.9% yield).
  • 19
  • methyl (E)-2-(((2,2-dimethoxyethyl)amino)methylene)-4-methoxy-3-oxobutanoate [ No CAS ]
  • [ 1335210-35-9 ]
  • 20
  • 1-(2,2-dimethoxyethyl)-3-methoxy-4-oxo-1,4-dihydropyridine-2,5-dicarboxylate boron [ No CAS ]
  • [ 1335210-35-9 ]
  • 22
  • methyl-5-carbamoyl-1-(2,2-dimethoxyethyl)-3-methoxy-4-oxo-1,4-dihydropyridine-2-carboxylate [ No CAS ]
  • [ 1335210-35-9 ]
  • 23
  • [ 1550-35-2 ]
  • (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-carboxamide [ No CAS ]
  • [ 1335210-35-9 ]
YieldReaction ConditionsOperation in experiment
600 mg With triethylsilane; trifluoroacetic acid; In toluene;Reflux; Triethylsilane (3.4 g) was added to a mixture of (4R,12aS)-7-methoxy-4-methyl-6,8-dioxo- 3,4,6,8,12, 12a-hexahydro-2H-[l,3]oxazino [3,2-d]pyrido[l,2-a] pyrazine-9-carboxamide (formula 9, 3 g) and 2,4-diflurobenzaldehyde (4.2 g) in toluene (33 mL). Trifluoroacetic acid (3.25 g) was then added. The reaction mixture was heated to reflux and maintained until complete conversion of the starting material, after which the mass was cooled to 30 C. Water (9 mL) was added and the pH was adjusted to 7-7.5 using 5% aqueous sodium bicarbonate solution. The aqueous layer was extracted with ethyl acetate (2 x 15 mL), washed with saturated aqueous sodium chloride solution, and distilled under reduced pressure to obtain a residue which was heated with isopropyl alcohol (6 mL) and n-heptane (25 mL) to 60 C and cooled to give (4R,12aS)-N- (2,4-difluorobenzyl)-7-methyloxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro- 2H-pyrido [l ',2':4,5]pyrazino[2,l-b][l,3]oxazine-9-carboximide (formula la, 600 mg).
  • 24
  • C10H15NO4 [ No CAS ]
  • [ 1335210-35-9 ]
  • 25
  • [ 1616340-68-1 ]
  • [ 1335210-35-9 ]
  • 26
  • [ 72235-52-0 ]
  • [ 1335210-35-9 ]
  • 27
  • [ 1616340-68-1 ]
  • [ 1335210-35-9 ]
  • 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 [ No CAS ]
  • (R)-N-(2,4-difluorobenzyl)-2-(4-hydroxybutan-2-yl)-9-methoxy-1,8-dioxo-1,8-dihydro-2H-pyrido[1,2-a]pyrazine-7-carboxamide [ No CAS ]
  • 28
  • [ 61477-40-5 ]
  • [ 1616340-68-1 ]
  • [ 1335210-35-9 ]
  • 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 [ No CAS ]
  • (R)-N-(2,4-difluorobenzyl)-2-(4-hydroxybutan-2-yl)-9-methoxy-1,8-dioxo-1,8-dihydro-2H-pyrido[1,2-a]pyrazine-7-carboxamide [ No CAS ]
  • 29
  • [ 61477-40-5 ]
  • methyl 5-(2,4-difluorobenzylcarbamoyl)-3-methoxy-4-oxo-1-(2-oxoethyl)-1,4-dihydropyridine-2-carboxylate [ No CAS ]
  • [ 1335210-35-9 ]
  • 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 [ No CAS ]
  • (R)-N-(2,4-difluorobenzyl)-2-(4-hydroxybutan-2-yl)-9-methoxy-1,8-dioxo-1,8-dihydro-2H-pyrido[1,2-a]pyrazine-7-carboxamide [ No CAS ]
  • 30
  • [ 41051-15-4 ]
  • [ 1335210-35-9 ]
  • 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 [ No CAS ]
  • (R)-N-(2,4-difluorobenzyl)-2-(4-hydroxybutan-2-yl)-9-methoxy-1,8-dioxo-1,8-dihydro-2H-pyrido[1,2-a]pyrazine-7-carboxamide [ No CAS ]
  • 31
  • [ 127958-23-0 ]
  • [ 1335210-35-9 ]
  • 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 [ No CAS ]
  • (R)-N-(2,4-difluorobenzyl)-2-(4-hydroxybutan-2-yl)-9-methoxy-1,8-dioxo-1,8-dihydro-2H-pyrido[1,2-a]pyrazine-7-carboxamide [ No CAS ]
  • 32
  • methyl (E)-2-(((2,2-dimethoxyethyl)amino)methylene)-4-methoxy-3-oxobutanoate [ No CAS ]
  • [ 1335210-35-9 ]
  • 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 [ No CAS ]
  • (R)-N-(2,4-difluorobenzyl)-2-(4-hydroxybutan-2-yl)-9-methoxy-1,8-dioxo-1,8-dihydro-2H-pyrido[1,2-a]pyrazine-7-carboxamide [ No CAS ]
  • 33
  • 1-(2,2-dimethoxy-ethyl)-3-methoxy-4-oxo-1,4-dihydro-pyridine-2,5-dicarboxylic acid dimethyl ester [ No CAS ]
  • [ 1335210-35-9 ]
  • 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 [ No CAS ]
  • (R)-N-(2,4-difluorobenzyl)-2-(4-hydroxybutan-2-yl)-9-methoxy-1,8-dioxo-1,8-dihydro-2H-pyrido[1,2-a]pyrazine-7-carboxamide [ No CAS ]
  • 34
  • 5-methoxy-6-(methoxycarbonyl)-4-oxo-1-(2-oxoethyl)-1,4-dihydropyridine-3-carboxylic acid [ No CAS ]
  • [ 1335210-35-9 ]
  • 35
  • methyl (Z)-2-((dimethylamino)methylene)-4-methoxy-3-oxobutanoate [ No CAS ]
  • [ 1335210-35-9 ]
  • 36
  • methyl (Z)-2-(((2,2-dimethoxyethyl)amino)methylene)-4-methoxy-3-oxobutanoate [ No CAS ]
  • [ 1335210-35-9 ]
Same Skeleton Products
Historical Records

Pharmaceutical Intermediates of
[ 1335210-35-9 ]

Dolutegravir Intermediates

Chemical Structure| 1206102-07-9

[ 1206102-07-9 ]

Methyl 3-(benzyloxy)-1-(2,3-dihydroxypropyl)-4-oxo-1,4-dihydropyridine-2-carboxylate

Chemical Structure| 1335210-23-5

[ 1335210-23-5 ]

1-(2,2-Dimethoxyethyl)-5-methoxy-6-(methoxycarbonyl)-4-oxo-1,4-dihydropyridine-3-carboxylic acid

Chemical Structure| 1206102-11-5

[ 1206102-11-5 ]

(4R,12aS)-7-(Benzyloxy)-N-(2,4-difluorobenzyl)-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

Chemical Structure| 119736-16-2

[ 119736-16-2 ]

3-(Benzyloxy)-4-oxo-4H-pyran-2-carboxylic acid

Chemical Structure| 61160-18-7

[ 61160-18-7 ]

3-(Benzyloxy)-2-methylpyridin-4(1H)-one

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[ 1335210-35-9 ]

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Chemical Structure| 1206102-11-5

[ 1206102-11-5 ]

(4R,12aS)-7-(Benzyloxy)-N-(2,4-difluorobenzyl)-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

Similarity: 0.97

Chemical Structure| 190595-65-4

[ 190595-65-4 ]

(3R,4S)-4-(4-(Benzyloxy)phenyl)-1-(4-fluorophenyl)-3-(3-(4-fluorophenyl)-3-oxopropyl)azetidin-2-one

Similarity: 0.62

Chemical Structure| 177325-13-2

[ 177325-13-2 ]

(S)-9-Fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-3,7-dihydro-2H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid hydrochloride

Similarity: 0.62

Chemical Structure| 182868-72-0

[ 182868-72-0 ]

1-Cyclopropyl-8-ethoxy-6-fluoro-7-(3-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

Similarity: 0.60

Chemical Structure| 226578-51-4

[ 226578-51-4 ]

(S)-9-Fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid methanesulfonic acid salt

Similarity: 0.60

Aryls

Chemical Structure| 1206102-11-5

[ 1206102-11-5 ]

(4R,12aS)-7-(Benzyloxy)-N-(2,4-difluorobenzyl)-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

Similarity: 0.97

Chemical Structure| 190595-65-4

[ 190595-65-4 ]

(3R,4S)-4-(4-(Benzyloxy)phenyl)-1-(4-fluorophenyl)-3-(3-(4-fluorophenyl)-3-oxopropyl)azetidin-2-one

Similarity: 0.62

Chemical Structure| 163222-32-0

[ 163222-32-0 ]

(3R,4S)-4-(4-(Benzyloxy)phenyl)-1-(4-fluorophenyl)-3-((S)-3-(4-fluorophenyl)-3-hydroxypropyl)azetidin-2-one

Similarity: 0.59

Chemical Structure| 204589-82-2

[ 204589-82-2 ]

3-((2S,3R)-2-(4-(Benzyloxy)phenyl)-1-(4-fluorophenyl)-4-oxoazetidin-3-yl)propanoic acid

Similarity: 0.59

Chemical Structure| 832720-36-2

[ 832720-36-2 ]

Sodium (R)-4-((2-(5-(2-fluoro-3-methoxyphenyl)-3-(2-fluoro-6-(trifluoromethyl)benzyl)-4-methyl-2,6-dioxo-3,6-dihydropyrimidin-1(2H)-yl)-1-phenylethyl)amino)butanoate

Similarity: 0.58

Ethers

Chemical Structure| 1206102-11-5

[ 1206102-11-5 ]

(4R,12aS)-7-(Benzyloxy)-N-(2,4-difluorobenzyl)-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

Similarity: 0.97

Chemical Structure| 1335210-24-6

[ 1335210-24-6 ]

(3S,11AR)-6-methoxy-3-methyl-5,7-dioxo-2,3,5,7,11,11a-hexahydrooxazolo[3,2-a]pyrido[1,2-d]pyrazine-8-carboxylic acid

Similarity: 0.74

Chemical Structure| 190595-65-4

[ 190595-65-4 ]

(3R,4S)-4-(4-(Benzyloxy)phenyl)-1-(4-fluorophenyl)-3-(3-(4-fluorophenyl)-3-oxopropyl)azetidin-2-one

Similarity: 0.62

Chemical Structure| 182868-72-0

[ 182868-72-0 ]

1-Cyclopropyl-8-ethoxy-6-fluoro-7-(3-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

Similarity: 0.60

Chemical Structure| 204589-82-2

[ 204589-82-2 ]

3-((2S,3R)-2-(4-(Benzyloxy)phenyl)-1-(4-fluorophenyl)-4-oxoazetidin-3-yl)propanoic acid

Similarity: 0.59

Amides

Chemical Structure| 1206102-11-5

[ 1206102-11-5 ]

(4R,12aS)-7-(Benzyloxy)-N-(2,4-difluorobenzyl)-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

Similarity: 0.97

Chemical Structure| 1335210-24-6

[ 1335210-24-6 ]

(3S,11AR)-6-methoxy-3-methyl-5,7-dioxo-2,3,5,7,11,11a-hexahydrooxazolo[3,2-a]pyrido[1,2-d]pyrazine-8-carboxylic acid

Similarity: 0.74

Chemical Structure| 190595-65-4

[ 190595-65-4 ]

(3R,4S)-4-(4-(Benzyloxy)phenyl)-1-(4-fluorophenyl)-3-(3-(4-fluorophenyl)-3-oxopropyl)azetidin-2-one

Similarity: 0.62

Chemical Structure| 163222-32-0

[ 163222-32-0 ]

(3R,4S)-4-(4-(Benzyloxy)phenyl)-1-(4-fluorophenyl)-3-((S)-3-(4-fluorophenyl)-3-hydroxypropyl)azetidin-2-one

Similarity: 0.59

Chemical Structure| 204589-82-2

[ 204589-82-2 ]

3-((2S,3R)-2-(4-(Benzyloxy)phenyl)-1-(4-fluorophenyl)-4-oxoazetidin-3-yl)propanoic acid

Similarity: 0.59

Ketones

Chemical Structure| 1206102-11-5

[ 1206102-11-5 ]

(4R,12aS)-7-(Benzyloxy)-N-(2,4-difluorobenzyl)-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

Similarity: 0.97

Chemical Structure| 1335210-24-6

[ 1335210-24-6 ]

(3S,11AR)-6-methoxy-3-methyl-5,7-dioxo-2,3,5,7,11,11a-hexahydrooxazolo[3,2-a]pyrido[1,2-d]pyrazine-8-carboxylic acid

Similarity: 0.74

Chemical Structure| 190595-65-4

[ 190595-65-4 ]

(3R,4S)-4-(4-(Benzyloxy)phenyl)-1-(4-fluorophenyl)-3-(3-(4-fluorophenyl)-3-oxopropyl)azetidin-2-one

Similarity: 0.62

Chemical Structure| 177325-13-2

[ 177325-13-2 ]

(S)-9-Fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-3,7-dihydro-2H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid hydrochloride

Similarity: 0.62

Chemical Structure| 182868-72-0

[ 182868-72-0 ]

1-Cyclopropyl-8-ethoxy-6-fluoro-7-(3-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

Similarity: 0.60

Amines

Chemical Structure| 1206102-11-5

[ 1206102-11-5 ]

(4R,12aS)-7-(Benzyloxy)-N-(2,4-difluorobenzyl)-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

Similarity: 0.97

Chemical Structure| 832720-36-2

[ 832720-36-2 ]

Sodium (R)-4-((2-(5-(2-fluoro-3-methoxyphenyl)-3-(2-fluoro-6-(trifluoromethyl)benzyl)-4-methyl-2,6-dioxo-3,6-dihydropyrimidin-1(2H)-yl)-1-phenylethyl)amino)butanoate

Similarity: 0.58

Chemical Structure| 1801787-56-3

[ 1801787-56-3 ]

N-(4-(4-Methylpiperazin-1-yl)-3'-(morpholinomethyl)-[1,1'-biphenyl]-3-yl)-6-oxo-4-(trifluoromethyl)-1,6-dihydropyridine-3-carboxamide

Similarity: 0.57

Chemical Structure| 452105-23-6

[ 452105-23-6 ]

(S,Z)-5-((5-Fluoro-2-oxoindolin-3-ylidene)methyl)-N-(2-hydroxy-3-morpholinopropyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide

Similarity: 0.56

Chemical Structure| 1253799-29-9

[ 1253799-29-9 ]

Phenyl 2-(benzyloxy)-3-(dibenzylamino)-5-fluoro-6-methylbenzoate

Similarity: 0.55

Related Parent Nucleus of
[ 1335210-35-9 ]

Other Aromatic Heterocycles

Chemical Structure| 1206102-11-5

[ 1206102-11-5 ]

(4R,12aS)-7-(Benzyloxy)-N-(2,4-difluorobenzyl)-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

Similarity: 0.97

Chemical Structure| 1335210-24-6

[ 1335210-24-6 ]

(3S,11AR)-6-methoxy-3-methyl-5,7-dioxo-2,3,5,7,11,11a-hexahydrooxazolo[3,2-a]pyrido[1,2-d]pyrazine-8-carboxylic acid

Similarity: 0.74

Chemical Structure| 177325-13-2

[ 177325-13-2 ]

(S)-9-Fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-3,7-dihydro-2H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid hydrochloride

Similarity: 0.62

Chemical Structure| 226578-51-4

[ 226578-51-4 ]

(S)-9-Fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid methanesulfonic acid salt

Similarity: 0.60

Chemical Structure| 82419-35-0

[ 82419-35-0 ]

9,10-Difluoro-2,3-dihydro-3-methyl-7-oxo-7H-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid

Similarity: 0.54