There will be a HazMat fee per item when shipping a dangerous goods. The HazMat fee will be charged to your UPS/DHL/FedEx collect account or added to the invoice unless the package is shipped via Ground service. Ship by air in Excepted Quantity (each bottle), which is up to 1g/1mL for class 6.1 packing group I or II, and up to 25g/25ml for all other HazMat items.
Type | HazMat fee for 500 gram (Estimated) |
Excepted Quantity | USD 0.00 |
Limited Quantity | USD 15-60 |
Inaccessible (Haz class 6.1), Domestic | USD 80+ |
Inaccessible (Haz class 6.1), International | USD 150+ |
Accessible (Haz class 3, 4, 5 or 8), Domestic | USD 100+ |
Accessible (Haz class 3, 4, 5 or 8), International | USD 200+ |
Purity | Size | Price | VIP Price | USA Stock *0-1 Day | Global Stock *5-7 Days | Quantity | |||||
{[ item.p_purity ]} | {[ item.pr_size ]} |
{[ getRatePrice(item.pr_usd, 1,1) ]} {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate) ]} |
{[ getRatePrice(item.pr_usd, 1,1) ]} | Inquiry {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate) ]} {[ getRatePrice(item.pr_usd,1,item.mem_rate) ]} | {[ item.pr_usastock ]} | Inquiry - | {[ item.pr_chinastock ]} | Inquiry - |
* Storage: {[proInfo.prStorage]}
CAS No. : | 135634-18-3 | MDL No. : | MFCD11869788 |
Formula : | C12H15ClF2N2O | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | - |
M.W : | 276.71 | Pubchem ID : | - |
Synonyms : |
|
Num. heavy atoms : | 18 |
Num. arom. heavy atoms : | 6 |
Fraction Csp3 : | 0.42 |
Num. rotatable bonds : | 2 |
Num. H-bond acceptors : | 5.0 |
Num. H-bond donors : | 2.0 |
Molar Refractivity : | 71.34 |
TPSA : | 44.62 Ų |
GI absorption : | High |
BBB permeant : | Yes |
P-gp substrate : | Yes |
CYP1A2 inhibitor : | No |
CYP2C19 inhibitor : | No |
CYP2C9 inhibitor : | No |
CYP2D6 inhibitor : | No |
CYP3A4 inhibitor : | No |
Log Kp (skin permeation) : | -5.94 cm/s |
Log Po/w (iLOGP) : | 0.0 |
Log Po/w (XLOGP3) : | 2.89 |
Log Po/w (WLOGP) : | 3.4 |
Log Po/w (MLOGP) : | 2.66 |
Log Po/w (SILICOS-IT) : | 3.07 |
Consensus Log Po/w : | 2.4 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 0.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | -3.49 |
Solubility : | 0.0893 mg/ml ; 0.000323 mol/l |
Class : | Soluble |
Log S (Ali) : | -3.49 |
Solubility : | 0.0901 mg/ml ; 0.000326 mol/l |
Class : | Soluble |
Log S (SILICOS-IT) : | -3.69 |
Solubility : | 0.0565 mg/ml ; 0.000204 mol/l |
Class : | Soluble |
PAINS : | 0.0 alert |
Brenk : | 3.0 alert |
Leadlikeness : | 0.0 |
Synthetic accessibility : | 2.36 |
Signal Word: | Danger | Class: | 8 |
Precautionary Statements: | P201-P202-P260-P264-P270-P280-P301+P312+P330-P301+P330+P331-P303+P361+P353-P304+P340+P310-P305+P351+P338+P310-P308+P313-P363-P405-P501 | UN#: | 1759 |
Hazard Statements: | H302-H314 | Packing Group: | Ⅱ |
GHS Pictogram: |
* 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.
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
81% | With sodium carbonate In acetonitrile for 32 h; Heating / reflux | A mixture of 4.75 g of 3- (2-chloroethyl)-6, 7,8, 9-tetrahydro-2-methyl-4H-pyrido [[1,] [2-A] PYRIMIDIN-4-ONE] hydrochloride, 5.1 g of [4- (2,] 4-difluorobenzoyl) piperidine oxime hydrochloride, 0.46 g of potassium iodide, 5 g of anhydrous sodium carbonate and 30 ml of acetonitrile was stirred and refluxed for 32 hours. The reaction mixture was cooled and water (120 ml) was added under stirring. Separated solid stirred at [5° FOR 1] hour, filtered, washed with water and crystallized from ethyl acetate yielding 6 g (81percent) of [3- [2- [4- (6-FLUORO-] [1,] [2-BENZISOXAZOLE-3-YL) PIPERIDINO] ETHYL]-6,] 7,8, [9-TETRAHYDRO-2-METHYL-4H-PYRIDO [ 1,] 2-a] [PYRIMIDIN-4-ONE.] |
79% | With potassium carbonate In acetonitrile for 30 h; Heating / reflux | A mixture of 4.75 g of [3-(2-CHLOROETHYL)-6,] 7,8, 9-tetrahydro-2-methyl-4H-pyrido [1, 2-a] pyrimidin-4-one hydrochloride, 5. 1 g of [4- (2, 4-DIFLUOROBENZOYL)] piperidine oxime hydrochloride, 0.46 g of potassium iodide, 6.5 g of anhydrous powdered potassium carbonate and 30 ml of acetonitrile was stirred and refluxed for 30 hours. Reaction monitoring by HPLC analysis indicated in situ formation of risperidone. After the completion of reaction, the reaction mixture was cooled and water (120 ml) was added under stirring. Separated solid stirred at [5°C] for [1] hour, filtered, washed with water and crystallized from ethyl acetate yielding 6 g [(81percent) OF 3- [2- [4- (6-FLUORO-L,] 2-benzisoxazole-3-yl) piperidino] [ETHYL-6,] 7,8, 9- [TETRAHYDRO-2-METHYL-4H-PYRIDO [1,] 2-a] pyrimidin-4-one. Example-5 A mixture of 4.75 g of [3- (2-CHLOROETHYL)-6,] 7,8, 9-tetrahydro-2-methyl-4H-pyrido [[1,] 2-a] [PYRIMIDIN-4-ONE,] 6.0 g [OF 4- (2,] 4-difluorobenzoyl) piperidine oxime hydrochloride, [0.] 46 g of potassium iodide, 6.1 g of anhydrous powdered potassium carbonate and 40 ml of acetonitrile was stirred and refluxed for 30 hours. The reaction mixture was cooled and water (120 [ML)] was added under stirring. Separated solid stirred at [5°C] for 1 hour, filtered, washed with water. Crude product was purified by crystallization in ethyl acetate to afford 6. [8] g (79percent) of [3- [2- [4- (6-FLUORO-1, 2-BENZISOXAZOLE-3-YL) PIPERIDINO] ETHYL]-6,] 7,8, 9-tetrahydro-2- methyl-4H-pyrido [1, 2-a] [PYRIMIDIN-4-ONE.] |
77% | With potassium carbonate In DMF (N,N-dimethyl-formamide) at 95 - 100℃; for 18 h; | A mixture of 4.75 g of [3.] [(2-CHLOROETHYL)-6,] 7,8, 9-tetrahydro-2-methyl-4H-pyrido [[1,] 2-a] [PYRIMIDIN-4-ONE] hydrochloride, [5.] [1] g of 4- (2, 4-difluorobenzoyl) piperidine oxime hydrochloride, 0.46 g of potassium iodide, 6.5 g of anhydrous powdered potassium carbonate and 30 ml [OF N, N-DIMETHYLFORMAMIDE] was stirred at [95-100°C] for 18 hours. The reaction mixture was cooled and water (120 [ML)] was added under stirring. Separated solid stirred at [5°C] for 1 hour, filtered, washed with. water and crystallized from ethyl acetate yielding 5.7 g [(77percent)] of [3- [2- [4- (6-FLUORO-1,] 2-benzisoxazole-3-yl) piperidino] ethyl]-6, 7,8, 9-tetrahydro-2- [METHYL-4H-PYRIDO [1, 2-A] PYRIMIDIN-4-ONE.] |
73% | With potassium carbonate In 4-methyl-2-pentanone at 100 - 105℃; for 30 h; | A mixture of 4.75 g of [3- (2-CHLOROETHYL)-6,] 7,8, [9-TETRAHYDRO-2-METHYL-4H-PYRIDO] [[1,] 2-a] pyrimidin-4-one hydrochloride, 5.1 g of 4-(2, 4-difluorobenzoyl) piperidine oxime hydrochloride, 0.46 g of potassium iodide, 6.5 g of anhydrous powdered potassium carbonate and 30 ml [OF MIBK] was stirred at [100105°C] for 30 hours. The reaction mixture was cooled and water (150 ml) was added under stirring. Separated solid stirred at [5°C] for 1 hour, filtered, washed with water and crystallized from ethyl acetate yielding 5.4 g (73percent) of [3- [2- [4- (6-FLUORO-1, 2-BENZISOXAZOLE-3-YL) PIPERIDINO] ETHYL]-6,] 7,8, 9-tetrahydro-2-methyl-4H- [PYRIDO] [[1,] 2-a] [PYRIMIDIN-4-ONE.] |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
75% | for 4 h; Reflux | 4) Preparation of 4-(6-fluoro-1,2-benzisoxazolyl)-piperidine 2,4-difluorophenyl-(4-piperidinyl)-methanone oxime hydrochloride (5.52g,20 mmol ) is added to 25 ml of 50 percent potassium hydroxide; reflux for 4 hours, cooled to room temperature, and extracted with toluene (25 mlx2). The combined organic phases are dried over anhydrous magnesium sulfate, filtered, evaporated to dryness under reduced pressure, and recrystallized in diethyl ether, to obtain 3.3g of a product, with a yield of 75 percent. |
75% | With potassium hydroxide In toluene for 4 h; Reflux | 2,4-difluorophenyl-(4-piperidinyl)methanone oxime hydrochloride (5.52 g, 20 mmol)Was added to 25 ml of 50percent potassium hydroxide, refluxed for 4 hours, cooled to room temperature, extracted with toluene 25 ml * 2, the organic phases were combined, dried over anhydrous magnesium sulfate, filtered, Evaporate to dryness and recrystallize from diethyl ether to give 3.3 g of product. Yield is 75percent. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
35 g | Stage #1: With potassium hydroxide In methanol for 2.5 h; Heating Stage #2: With hydrogenchloride In water; acetone at 20℃; for 0 h; |
Potassium hydroxide (27 g) was added to 600 mL of methanol and added(2,4-difluorophenyl) - (4-piperidinyl) methanone oxime hydrochloride (55 g)Heating reaction for about 2.5 hours. Cold to room temperature, add appropriate amount of anhydrous MgSO4, stirring about 1h. The filtrate was concentrated under reduced pressure. Join500 mL of acetone, stirred at room temperature for about 0.5 h, filtered, the filtrate stirred into the hydrochloric acid to pH = 2 ~ 3, filter, dry, white solidBody 35g. The methanol content is 0.4percent. |
[ 193357-26-5 ]
4-(2-Fluorobenzyl)piperidine hydrochloride
Similarity: 0.72
[ 84163-13-3 ]
6-Fluoro-3-(4-piperidinyl)-1,2-benzisoxazole hydrochloride
Similarity: 0.67
[ 92822-03-2 ]
4-(4-Fluorobenzyl)piperidine hydrochloride
Similarity: 0.66
[ 84163-77-9 ]
6-Fluoro-3-(4-piperidinyl)-1,2-benzisoxazole
Similarity: 0.65
[ 6716-98-9 ]
4-(4-Fluorophenyl)piperidine hydrochloride
Similarity: 0.65
[ 193357-26-5 ]
4-(2-Fluorobenzyl)piperidine hydrochloride
Similarity: 0.72
[ 92822-03-2 ]
4-(4-Fluorobenzyl)piperidine hydrochloride
Similarity: 0.66
[ 6716-98-9 ]
4-(4-Fluorophenyl)piperidine hydrochloride
Similarity: 0.65
[ 3349-64-2 ]
3,4-Dihydronaphthalen-1(2H)-one oxime
Similarity: 0.53
[ 23873-81-6 ]
1,2-Diphenylethane-1,2-dione dioxime
Similarity: 0.52
[ 193357-26-5 ]
4-(2-Fluorobenzyl)piperidine hydrochloride
Similarity: 0.72
[ 92822-03-2 ]
4-(4-Fluorobenzyl)piperidine hydrochloride
Similarity: 0.66
[ 6716-98-9 ]
4-(4-Fluorophenyl)piperidine hydrochloride
Similarity: 0.65
[ 193357-26-5 ]
4-(2-Fluorobenzyl)piperidine hydrochloride
Similarity: 0.72
[ 84163-13-3 ]
6-Fluoro-3-(4-piperidinyl)-1,2-benzisoxazole hydrochloride
Similarity: 0.67
[ 92822-03-2 ]
4-(4-Fluorobenzyl)piperidine hydrochloride
Similarity: 0.66
[ 84163-77-9 ]
6-Fluoro-3-(4-piperidinyl)-1,2-benzisoxazole
Similarity: 0.65
[ 6716-98-9 ]
4-(4-Fluorophenyl)piperidine hydrochloride
Similarity: 0.65