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PD 0332991
Conditions | Yield |
---|---|
With hydrogen; sodium hydroxide In ethanol at 40 - 50℃; for 4h; Reagent/catalyst; Solvent; | 98.6% |
With hydrogen; sodium hydroxide; palladium dichloride In ethanol at 40 - 50℃; for 4h; | 97.1% |
PD 0332991
Conditions | Yield |
---|---|
With hydrogenchloride In tetrahydrofuran; water at 25 - 30℃; for 5h; | 98.5% |
With methanesulfonic acid In water; acetone at 55 - 70℃; for 8h; Reagent/catalyst; | 95% |
With hydrogenchloride In water; butan-1-ol at 70℃; for 2h; | 84.8% |
PD 0332991
Conditions | Yield |
---|---|
With methanesulfonic acid In water; acetone at 45 - 55℃; Solvent; Reagent/catalyst; Large scale; | 98% |
With methanesulfonic acid In water; acetone at 55℃; Reagent/catalyst; | 98% |
With methanesulfonic acid In water; acetone at 45 - 55℃; for 0.5h; | 96.2% |
PD 0332991
Conditions | Yield |
---|---|
With water; sodium carbonate at 30℃; for 1h; Reagent/catalyst; Temperature; | 97% |
With sodium hydroxide In methanol; water at 25 - 35℃; pH=10; | 32.2 g |
PD 0332991
Conditions | Yield |
---|---|
With water; sodium hydroxide at 100℃; | 96% |
With sodium hydroxide In water pH=10 - Ca. 11; Concentration; | 90% |
With sodium hydroxide In water pH=11 - 12.5; Large scale; |
PD 0332991
Conditions | Yield |
---|---|
With tetrahydropyridine dichromate nickel (II); acetic acid at 25 - 35℃; for 8h; Temperature; | 95.3% |
With sodium selenate In dimethyl sulfoxide at 150 - 160℃; | 94% |
6-acetyl-8-cyclopentyl-5-methyl-2-{[5-(piperazin-1-yl)pyridin-2yl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one hydrochloride
PD 0332991
Conditions | Yield |
---|---|
With sodium hydroxide In ethanol; water for 1h; pH=9; Solvent; | 95% |
Stage #1: 6-acetyl-8-cyclopentyl-5-methyl-2-{[5-(piperazin-1-yl)pyridin-2yl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one hydrochloride In water at 55℃; for 1.5h; Stage #2: With ammonia at -5 - 0℃; for 4h; | 84.2% |
With triethylamine In water at 0 - 40℃; | 65% |
PD 0332991
Conditions | Yield |
---|---|
With sodium hydroxide In water pH=10 - Ca. 11; | 95% |
PD 0332991
Conditions | Yield |
---|---|
With sodium hydroxide In ethanol; water at 19 - 25℃; for 21h; | 94% |
PD 0332991
Conditions | Yield |
---|---|
With sodium hydroxide In water; acetone at 28℃; for 1.75h; pH=12; Large scale; | 92% |
This chemical has the systematic name 6-Acetyl-8-cyclopentyl-5-methyl-2-[[5-(piperazin-1-yl)pyridin-2-yl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one. With the CAS registry number 571190-30-2, it is also known as PD 0332991. Its molecular formula is C24H29N7O2 and its molecular weight is 447.532760. Additionally, its product categories are
Other characteristics of the 6-Acetyl-8-cyclopentyl-5-methyl-2-[[5-(piperazin-1-yl)pyridin-2-yl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one can be summarised as followings: (1)ACD/LogP: 0.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.73; (4)ACD/LogD (pH 7.4): 0.07; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 11.58; (9)#H bond acceptors: 9; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 85.77 Å2; (13)Index of Refraction: 1.647; (14)Molar Refractivity: 123.93 cm3; (15)Molar Volume: 340.7 cm3; (16)Polarizability: 49.13×10-24cm3; (17)Surface Tension: 65.4 dyne/cm; (18)Density: 1.313 g/cm3; (19)Flash Point: 384.1 °C; (20)Enthalpy of Vaporization: 104.03 kJ/mol; (21)Boiling Point: 711.5 °C at 760 mmHg; (22)Vapour Pressure: 4.32E-20 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C2N(c1nc(ncc1/C(=C2/C(=O)C)C)Nc3ncc(cc3)N4CCNCC4)C5CCCC5
2.InChI: InChI=1/C24H29N7O2/c1-15-19-14-27-24(28-20-8-7-18(13-26-20)30-11-9-25-10-12-30)29-22(19)31(17-5-3-4-6-17)23(33)21(15)16(2)32/h7-8,13-14,17,25H,3-6,9-12H2,1-2H3,(H,26,27,28,29)
3.InChIKey: AHJRHEGDXFFMBM-UHFFFAOYAM