成人免费xx,国产又黄又湿又刺激不卡网站,成人性视频app菠萝网站,色天天天天

Home Cart 0 Sign in  

[ CAS No. 119285-07-3 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 119285-07-3
Chemical Structure| 119285-07-3
Structure of 119285-07-3 * Storage: {[proInfo.prStorage]}

Please Login or Create an Account to: See VIP prices and availability

Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Search after Editing

* Storage: {[proInfo.prStorage]}

* Shipping: {[proInfo.prShipping]}

Quality Control of [ 119285-07-3 ]

Related Doc. of [ 119285-07-3 ]

Alternatived Products of [ 119285-07-3 ]
Product Citations

Product Details of [ 119285-07-3 ]

CAS No. :119285-07-3 MDL No. :MFCD05864841
Formula : C14H22N4O2 Boiling Point : -
Linear Structure Formula :- InChI Key :RMHRRMBFHGEDSR-UHFFFAOYSA-N
M.W : 278.35 Pubchem ID :17999304
Synonyms :

Calculated chemistry of [ 119285-07-3 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 20
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.57
Num. rotatable bonds : 4
Num. H-bond acceptors : 3.0
Num. H-bond donors : 1.0
Molar Refractivity : 85.84
TPSA : 71.69 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : Yes
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -7.08 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.57
Log Po/w (XLOGP3) : 1.29
Log Po/w (WLOGP) : 0.97
Log Po/w (MLOGP) : 0.98
Log Po/w (SILICOS-IT) : 0.4
Consensus Log Po/w : 1.24

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.34
Solubility : 1.28 mg/ml ; 0.00461 mol/l
Class : Soluble
Log S (Ali) : -2.4
Solubility : 1.12 mg/ml ; 0.00402 mol/l
Class : Soluble
Log S (SILICOS-IT) : -2.35
Solubility : 1.26 mg/ml ; 0.00452 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 0.0
Synthetic accessibility : 2.61

Safety of [ 119285-07-3 ]

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 [ 119285-07-3 ]

* 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 [ 119285-07-3 ]

[ 119285-07-3 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 193902-78-2 ]
  • [ 119285-07-3 ]
YieldReaction ConditionsOperation in experiment
100% With hydrogen;nickel; In tetrahydrofuran; under 2585.81 Torr; for 5h; 2-Bromo-5-nitro-pyridine (11.39 g, 56.1 mmol), tetrabutylammonium iodide (TBAI) (1.04 g, 0.05 mmol), potassium carbonate (8.53 g, 61.7 mmol) and piperazine-1-carboxylic acid tert-butyl ester (11.5 g, 61.7 mmol) were mixed together in DMSO (100 mL) and gently warmed to 50 C. for 3 hours and cooled to room temperature overnight. The reaction was diluted with EtOAc (200 mL), the salts were filtered and then the EtOAc was evaporated to leave the DMSO solution. This was diluted with water and a precipitate formed. This precipitate was filtered, washed with water, and then dried in an oven vacuum to give <strong>[193902-78-2]4-(5-nitro-pyridin-2-yl)-piperazine-1-carboxylic acid tert-butyl ester</strong> (16.1 g, 93%) as a light orange solid. 1H NMR (400 MHz, CDCl3) ppm 1.47 (s, 9H), 3.55 (m, 4H), 3.75 (m, 4H), 6.55 (d, J=9.3 Hz, 1H), 8.21 (dd, J=9.5, 2.7 Hz, 1H), 9.03 (d, J=2.7 Hz, 1H). 4-(5-Nitro-pyridin-2-yl)-piperazine-1-carboxylic acid tert-butyl ester (16.0 g, 51.9 mmol) was dissolved in THF (400 mL), RaNi (4 g) added and placed under a H2 atmosphere at 50 psi for 5 h. The catalyst was removed by filtration through celite and the solvent evaporated in vacuo to give 4-(5-amino-pyridin-2-yl)-piperazine-1-carboxylic acid tert-butyl ester (14.5 g, 100%). 1H NMR (400 MHz, CDCl3) ppm 1.46 (s, 9H), 3.31 (m, 6H), 3.53 (m, 4H), 6.56 (d, J=8.8 Hz, 1H), 6.98 (dd, J=8.8, 2.9 Hz, 1H), 7.78 (dd, J=2.9, 0.7 Hz, 1H). m/z 279.1 (M+1).
98% With hydrogen;palladium 10% on activated carbon; In methanol; ethyl acetate; at 20℃; for 20h; Place 4-(5-nitro-pyridin-2-yl)-piperazine-l-carboxylic acid tert-butyl ester (1.14 g, 3.70 mmol) in 1:1 EtOAc:MeOH (20 mL). Add 10% Pd on carbon using EtOAc (5 mL). Purge the reaction and then add hydrogen. Repeat the purge/fill cycle twice, and place the reaction under a balloon of hydrogen and stir at room temperature for 20 hours. Filter the reaction through a pad of Celite and wash the filter cake with EtOAc. Collect the filtrate and concentrate under reduced pressure to yield 1.01 g (98%) of the title compound. MS(ES): m/z = 279 [M+H].
91% With palladium 10% on activated carbon; hydrogen; In methanol; at 20℃; for 15h; Example 197b tert-Butyl 4-(5-Aminopyridin-2-yl)piperazine-1-carboxylate 197b A 250-mL round-bottomed flask was purged with nitrogen and charged with 197a (4.0 g, 13.0 mmol), 10% palladium on carbon (10% wet, 500 mg), and methanol (130 mL). The flask was evacuated, charged with hydrogen gas, and stirred at room temperature for 15 h. Hydrogen was then evacuated and nitrogen was charged to the flask. The catalyst was removed by filtration through a pad of CELITE and the filtrate was concentrated under reduced pressure to afford 197b (3.3 g, 91%). MS-ESI: [M+H]+ 279
91% With palladium on activated charcoal; hydrogen; In ethyl acetate; at 20℃; for 4h;Inert atmosphere; To a stirred solution of compound 46-3 (4-(5-Nitro-pyridin-2-yl)-piperazine-1-carboxylicacid tert-butyl ester) (1.7 g, 5.519 mmol) in EtOAc (50 mL) argon was purged for 10 min then PdC(800 mg) was added and the reaction was stirred under hydrogen atmosphere (balloon) for 4 hours. The reaction mixture was filtered through celite and concentrated under reduced pressureto afford compound 46-4 (1.4 g, 91%) as brown solid. LC MS: ES+ 278.9.
90% With palladium 10% on activated carbon; hydrogen; In ethanol; ethyl acetate; at 70℃; under 750.075 Torr; for 0.5h;H-Cube; (General flow chemistry reduction method). Using 10% Pd/C as catalyst, a solution of compound 3b (1 mmol, 208 mg) in a 1:1 mixture of ethyl acetate: ethanol (30 mL) was pumped though the H-Cube. The pressure of the system was set to 1 bar, and the temperature to 70 C. After 30 minutes, all the reaction mixture had passed though the HCube. The fraction was analyzed using TLC, which showed complete conversion of the product, and the solvent was reduced to dryness, affording a dark red oil 171 mg (96%) yield. The CatCart was then washed with ethanol for approximately 10 minutes and the washings were discarded.
68% With hydrogen;palladium 10% on activated carbon; In ethanol; at 20℃; for 5h; A suspension of <strong>[193902-78-2]4-(5-nitro-pyridin-2-yl)-piperazine-1-carboxylic acid tert-butyl ester</strong> (10.8 g) obtained in Example (38a) and 10% palladium-carbon catalyst (2.15 g) in ethanol (300 mL) was stirred at room temperature under a hydrogen atmosphere for five hours. The reaction mixture was filtered and concentrated. The residue was vigorously stirred in isopropyl ether, collected by filtration and dried under reduced pressure, and 6.59 g (68%) of the title compound was obtained as a pale pink solid. MS(FAB) m/z:279 (M + H)+.
40% With iron; ammonium chloride; In ethanol; water; at 50℃; for 0.5h; To a stirred solution of 369 <strong>[193902-78-2]ter<strong>[193902-78-2]t-butyl 4-(5-nitropyridin-2-yl)piperazine-1-carboxylate</strong></strong> (2.9 g, 9.405 mmol, 1.0 eq) in 6 mL of 6 ethanol: 7 water (1:1) mixture were added 217 ammonium chloride (4.04 g, 75.24 mmol, 4 eq) and Fe(0) (2.10 g, 37.62 mmol, 4.0 eq). Reaction mixture was heated at 50 C. for 30 min. Progress of reaction was monitored by LCMS. Upon the consumption of starting material, the reaction mixture was filtered over celite and filtrate was concentrated under reduced pressure. The crude obtained was diluted with 50 mL of water and extracted with ethyl acetate (200 mL×2). Combined organic layer was washed with water and brine, dried over Na2SO4 and concentrated under reduced pressure. The crude was purified by flash chromatography using 0-2% 30 MeOH in 82 CH2Cl2 as eluents to obtain the desired product, 372 tert-butyl 4-(5-aminopyridin-2-yl)piperazine-1-carboxylate (1.072 g, 40%). (0463) LCMS: 279 [M+1]+
With hydrogen;palladium on activated charcoal; In ethanol; at 20℃; for 3h; A solution of 1-(terbutyloxycarbonyl)-4-(5-nitro-piridin-2-yl)-piperazine (4.4 g) in EtOH (150 mL) containing Pd/C (0.5 g) was hydrogenated at room temperature during 3 hours. The catalyst was filtered off and the filtrate was evaporated under reduced pressure. The titled compound was obtained as a brown oil (3.9 g). [0270] MS: m/z 279 (M+1).
With hydrogen;palladium 10% on activated carbon; In methanol; ethyl acetate; at -10 - 45℃; under 3102.97 Torr; for 3h; [2- (N-T-BUTOXYCARBONYLPIPERAZINE)-5-NITRO] pyridine (82 g, 266.233 mmoles) was dissolved in 1: 1 mixture of methanol and ethylacetate [(1L).] This solution was cooled [TO-5 TO-10 C.] To this, 8.2 g of 10% palladium carbon was added and hydrogenated the reaction mixture at [45 C,] 60 psi for 3 hours. Filtered the reaction mixture through celite and washed the residue thoroughly with methanol. Concentrated the filtrate to dryness and dried under high vacuum to give the title compound (74 g).
With hydrogen;palladium 10% on activated carbon; In methanol; ethyl acetate; at -10 - 45℃; under 3102.97 Torr; for 3h; 2- (PIPERAZINE-N-T-BUTOXYCARBONYL)-5-NITRO pyridine (82 g, 0.266233 moles) was dissolved in 1: 1 mixture of methanol and ethylacetate (1L). This solution was cooled TO-5o TO-10 oC. To this, 8.2 g of 10% palladium carbon was added and hydrogenated the reaction mixture at 45 oC, 60 psi for 3 hours. Filtered the reaction mixture through celite and washed the residue thoroughly with methanol. Concentrated the filtrate to dryness and dried under high vacuum to give the title compound (74 g).
With hydrogen;palladium 10% on activated carbon; In ethanol; under 3102.97 Torr; for 2h; 4-(5-Nitro-pyridin-2-yl)-piperazine-l-carboxylic acid tert-butyl ester (5 g), 10% Pd/C (0.5 g) and ethanol (200 ml) were taken together in a hydrogenation flask and the reaction mixture was hydrogenated at 60 psi for 2 hrs. On completion, the reaction mixture was filtered through a celite bed and the ethanol was removed under reduced pressure to give the curde product. The compound was further purified by crystallization from 50% EtOAc/n-hexane (200 ml) to yield 4-(5-Amino-pyridin-2-yl)-piperazine-l-carboxylic acid tert-butyl ester. EPO <DP n="52"/>4-r5-d-Oxy-benzori,2,41triazin-3-ylamino)-pyridm-2-vn-piperazine-l-carboxylic acid tert-butyl ester
With hydrogen;5% palladium over charcoal; In ethyl acetate; at 20℃; under 2327.23 Torr; for 3h; Method B:Step 1: tert-Butyl 4-(5-aminopyridin-2-yl)piperazine-l-carboxylate: To a stirred solution of tert-Butyl 4-(5-nitropyridin-2-yl)piperazine-l-carboxylate (20 g, 64.935 mmol) in EtOAc (200 ml) was added 5 % Pd/C (4 g) and the mixture was maintained under hydrogen pressure (45 psi) for 3 h at room temperature. The catalyst was then filtered off and the filtrate was concentrated under reduced pressure to afford 16.24 g of the amine as a light brown solid which was used as such for the next step.
With palladium 10% on activated carbon; hydrogen; acetic acid; at 30℃; for 1h; 29a (15.0 g of 54.0 mmol) was dissolved in 150 mL of acetic acid, and 1.6 g of 10% palladium carbon was added thereto, and hydrogenation was carried out at 30 C for 1 h.After completion of the reaction, the mixture was filtered under reduced pressure, and the filtrate was directly poured, and 4-fluorobenzaldehyde (8.9 g, 72.0 mmol) was added to the filtrate, stirred at room temperature for 1 hour, then cooled to about 10 C, and sodium borohydride was added.(4.13 g, 108.0 mmol), the reaction was kept for 30 min after the addition. After the completion of the reaction, the reaction mixture was poured into water, and the mixture was evaporated. Purification (PE: EA = 4:1, v/v) gave solid 29c.The yield in two steps was 65.0%;

Recommend Products
Same Skeleton Products

Technical Information

Historical Records
; ;