di-tert-butyl dicarbonate
ethyl 1-benzyl-4-oxopiperidine-3-carboxylate hydrochloride
1-tert-butyl 3-ethyl 4-oxopiperidine-1,3-dicarboxylate
Conditions | Yield |
---|---|
Stage #1: ethyl 1-benzyl-4-oxopiperidine-3-carboxylate hydrochloride With hydrogen; palladium 10% on activated carbon In ethanol at 20℃; under 760.051 Torr; for 15h; Stage #2: di-tert-butyl dicarbonate With triethylamine In ethanol at 20℃; for 16h; | 100% |
With hydrogen; triethylamine In ethanol | 85% |
With hydrogen; palladium(II) hydroxide; triethylamine In ethanol under 2585.81 Torr; for 4h; | 82% |
Stage #1: ethyl 1-benzyl-4-oxopiperidine-3-carboxylate hydrochloride With sodium hydrogencarbonate In ethyl acetate for 1h; Stage #2: di-tert-butyl dicarbonate With hydrogen; palladium 10% on activated carbon In ethyl acetate under 2585.81 Torr; for 24h; |
Conditions | Yield |
---|---|
In methanol at 50℃; for 1h; Inert atmosphere; | 100% |
ethyl 1-benzyl-4-oxopiperidine-3-carboxylate hydrochloride
ethyl 4-piperidone-3-carboxylate hydrochloride
Conditions | Yield |
---|---|
With hydrogen; palladium on activated charcoal In ethanol; water under 2280 Torr; for 24h; Ambient temperature; | 99% |
With Pd(OH)2/C; hydrogen In methanol; dichloromethane at 22℃; under 3750.38 Torr; for 48h; | 99% |
With palladium 10% on activated carbon; hydrogen In ethanol for 7h; Heating; | 98.2% |
ethyl 1-benzyl-4-oxopiperidine-3-carboxylate hydrochloride
methyl 4-amino-1-benzyl-1,2,5,6-tetrahydropyridine-3-carboxylate
Conditions | Yield |
---|---|
With ammonium acetate In ethanol at 20℃; for 1h; | 99% |
ethyl 1-benzyl-4-oxopiperidine-3-carboxylate hydrochloride
1-acetyl-4-oxo-piperidine-3-carboxylic acid ethyl ester
Conditions | Yield |
---|---|
With acetic anhydride In pyridine; ethyl acetate | 97% |
ethyl 1-benzyl-4-oxopiperidine-3-carboxylate hydrochloride
Conditions | Yield |
---|---|
Stage #1: ethyl 1-benzyl-4-oxopiperidine-3-carboxylate hydrochloride With sodium hydroxide In diethyl ether; water at 20℃; Stage #2: In water at 30℃; for 12h; | 95% |
ethyl 1-benzyl-4-oxopiperidine-3-carboxylate hydrochloride
4-piperidone-3-carboxylic acid ethyl ester
Conditions | Yield |
---|---|
With ammonium formate; palladium on activated charcoal In ethanol for 1h; Heating; | 92% |
With hydrogen; palladium 10% on activated carbon In ethanol at 20℃; under 3000.3 - 3750.38 Torr; for 3h; |
ethyl 1-benzyl-4-oxopiperidine-3-carboxylate hydrochloride
C9H14O3NC6H5
Conditions | Yield |
---|---|
With sodium hydrogencarbonate In dichloromethane for 1h; | 92% |
With sodium hydrogencarbonate In dichloromethane for 1h; | 92% |
With sodium carbonate In water for 1h; | 90% |
With sodium hydrogencarbonate In dichloromethane; water |
formamidine acetic acid
ethyl 1-benzyl-4-oxopiperidine-3-carboxylate hydrochloride
7-benzyl-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one
Conditions | Yield |
---|---|
With sodium methylate In methanol for 2h; Heating / reflux; | 90% |
ethyl 1-benzyl-4-oxopiperidine-3-carboxylate hydrochloride
6-benzyl-2-(2-methoxy-phenyl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
Conditions | Yield |
---|---|
Stage #1: 2-Methoxy-benzamidine With sodium methylate In 1,4-dioxane; methanol at 0℃; for 0.25h; Stage #2: ethyl 1-benzyl-4-oxopiperidine-3-carboxylate hydrochloride In 1,4-dioxane; methanol for 2h; Heating / reflux; | 87% |
ethyl 1-benzyl-4-oxopiperidine-3-carboxylate hydrochloride
ethyl 1-benzyl-4-hydroxypiperidine-3-carboxylate
Conditions | Yield |
---|---|
Stage #1: ethyl 1-benzyl-4-oxopiperidine-3-carboxylate hydrochloride With triethylamine In methanol at 20℃; for 0.166667h; Stage #2: With sodium tetrahydroborate In methanol at 20℃; for 3h; Stage #3: With hydrogenchloride; methanol; water; sodium hydrogencarbonate more than 3 stages; | 84% |
Stage #1: ethyl 1-benzyl-4-oxopiperidine-3-carboxylate hydrochloride With triethylamine In methanol at 0℃; for 0.166667h; Stage #2: With sodium tetrahydroborate In methanol at 0℃; for 2h; |
N,N-phenylbistrifluoromethane-sulfonimide
ethyl 1-benzyl-4-oxopiperidine-3-carboxylate hydrochloride
ethyl 1-benzyl-4-(trifluoromethylsulfonyloxy)-1,2,5,6-tetrahydropyridine-3-carboxylate
Conditions | Yield |
---|---|
Stage #1: ethyl 1-benzyl-4-oxopiperidine-3-carboxylate hydrochloride With potassium carbonate In water Stage #2: With sodium hydride In N,N-dimethyl-formamide; mineral oil at 0℃; for 0.166667h; Inert atmosphere; Stage #3: N,N-phenylbistrifluoromethane-sulfonimide In N,N-dimethyl-formamide; mineral oil at 0℃; for 1.5h; | 83% |
Stage #1: ethyl 1-benzyl-4-oxopiperidine-3-carboxylate hydrochloride With potassium carbonate In dichloromethane; water Stage #2: With sodium hydride In N,N-dimethyl-formamide at 0℃; for 0.166667h; Inert atmosphere; Stage #3: N,N-phenylbistrifluoromethane-sulfonimide In N,N-dimethyl-formamide for 1.5h; Inert atmosphere; | 83% |
ethyl 1-benzyl-4-oxopiperidine-3-carboxylate hydrochloride
acrylic acid methyl ester
1-benzyl-3-(2-ethoxycarbonyl-ethyl)-4-oxo-piperidine-3-carboxylic acid ethyl ester
Conditions | Yield |
---|---|
Stage #1: ethyl 1-benzyl-4-oxopiperidine-3-carboxylate hydrochloride With caesium carbonate In acetone Reflux; Stage #2: acrylic acid methyl ester In acetone for 3.5h; Reflux; | 81% |
formamidine hydrochloride
ethyl 1-benzyl-4-oxopiperidine-3-carboxylate hydrochloride
6-benzyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-ol
Conditions | Yield |
---|---|
With sodium methylate In methanol at 85℃; | 77% |
6-acetoxy-2,3-dihydrobenzofuran
ethyl 1-benzyl-4-oxopiperidine-3-carboxylate hydrochloride
3-Benzyl-1,2,3,4,9,10-hexahydro-6,8-dioxa-3-aza-cyclopenta[b]phenanthren-5-one; hydrochloride
Conditions | Yield |
---|---|
With hydrogenchloride In acetic acid for 120h; Ambient temperature; | 75% |
ethyl 1-benzyl-4-oxopiperidine-3-carboxylate hydrochloride
6-acetoxy-7-methyl-2,3-dihydrobenzofuran
3-Benzyl-7-methyl-1,2,3,4,9,10-hexahydro-6,8-dioxa-3-aza-cyclopenta[b]phenanthren-5-one; hydrochloride
Conditions | Yield |
---|---|
With hydrogenchloride In acetic acid for 120h; Ambient temperature; | 75% |
2-chloroacetamidine hydrochloride
ethyl 1-benzyl-4-oxopiperidine-3-carboxylate hydrochloride
7-benzyl-5,6,7,8-tetrahydro-2-(methoxymethyl)pyrido[3,4-d]pyrimidin-4(3H)-one
Conditions | Yield |
---|---|
With sodium methylate In methanol at 100℃; for 0.25h; Microwave irradiation; | 72% |
ethyl 1-benzyl-4-oxopiperidine-3-carboxylate hydrochloride
urea
5,6,7,8-tetrahydro-6-(phenylmethyl)pyrido<3,4-d>pyrimidine-2,4(1H,3H)-dione
Conditions | Yield |
---|---|
With sodium methylate In ethanol for 24h; Heating / reflux; | 70% |
With sodium methylate In methanol at 0℃; for 40h; Reflux; | 60% |
With sodium methylate In methanol at 0 - 60℃; for 20h; Inert atmosphere; | 42% |
formamidine acetic acid
ethyl 1-benzyl-4-oxopiperidine-3-carboxylate hydrochloride
6-benzyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(3H)-one
Conditions | Yield |
---|---|
Stage #1: formamidine acetic acid; ethyl 1-benzyl-4-oxopiperidine-3-carboxylate hydrochloride With sodium methylate In methanol at 85℃; for 16h; in sealed vessel; Stage #2: With sodium hydroxide In water at 0℃; Stage #3: With acetic acid In water pH=7; | 61.4% |
Stage #1: formamidine acetic acid; ethyl 1-benzyl-4-oxopiperidine-3-carboxylate hydrochloride With sodium methylate In methanol at 85℃; for 16h; Stage #2: With sodium hydroxide In water Stage #3: With acetic acid In water at 0℃; pH=7; | 61.4% |
Stage #1: formamidine acetic acid; ethyl 1-benzyl-4-oxopiperidine-3-carboxylate hydrochloride With sodium methylate In methanol at 85℃; for 16h; Stage #2: With sodium hydroxide In water Cooling with ice; Stage #3: With acetic acid In water pH=7; | 61.4% |
ethyl 1-benzyl-4-oxopiperidine-3-carboxylate hydrochloride
(3RS,4RS)-1-benzyl-3-hydroxymethyl-piperidin-4-ol
Conditions | Yield |
---|---|
Stage #1: ethyl 1-benzyl-4-oxopiperidine-3-carboxylate hydrochloride With sodium hydroxide; water In methanol at 20℃; Stage #2: With sodium tetrahydroborate In methanol at 0 - 20℃; | 61% |
Stage #1: ethyl 1-benzyl-4-oxopiperidine-3-carboxylate hydrochloride With sodium tetrahydroborate; sodium hydroxide In methanol at 0℃; for 0.5h; Stage #2: With lithium aluminium tetrahydride In diethyl ether at 0℃; for 1h; |
ethyl 1-benzyl-4-oxopiperidine-3-carboxylate hydrochloride
3-methyl-phenol
1,2,3,4-tetrahydro-8-methyl-3-(phenylmethyl)-5H-[1]benzopyrano[3,4-c]pyridin-5-one
Conditions | Yield |
---|---|
60% |
S-methylthiouronium iodide
ethyl 1-benzyl-4-oxopiperidine-3-carboxylate hydrochloride
6-benzyl-2-methylthio-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(3H)-one
Conditions | Yield |
---|---|
With potassium carbonate In water at 60℃; for 12h; | 59% |
acetamidine hydrochloride
ethyl 1-benzyl-4-oxopiperidine-3-carboxylate hydrochloride
6-benzyl-2-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-ol
Conditions | Yield |
---|---|
With potassium carbonate In methanol; water at 60℃; for 16h; | 55% |
ethyl 1-benzyl-4-oxopiperidine-3-carboxylate hydrochloride
A
5-benzyl-3-ethoxy-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
Conditions | Yield |
---|---|
With hydrazine hydrochloride In ethanol for 8h; Reflux; | A 38% B 52% |
Conditions | Yield |
---|---|
With potassium tert-butylate In isopropyl alcohol at 20 - 75℃; for 12.33h; | 48% |
Conditions | Yield |
---|---|
40% |
ethyl 1-benzyl-4-oxopiperidine-3-carboxylate hydrochloride
2-hydrazinyl-5-methyl-1H-benzo[d]imidazole
Conditions | Yield |
---|---|
With acetic acid at 20℃; for 12h; | 37% |
2,3-dihydro-4-hydroxybenzofuran
ethyl 1-benzyl-4-oxopiperidine-3-carboxylate hydrochloride
2-benzyl-1,2,3,4,8,9-hexahydro-11H-furo<3',2':7,8><1>benzopyrano<3,4-c>pyridin-11-one
Conditions | Yield |
---|---|
With sulfuric acid; trichlorophosphate Ambient temperature; | 30% |
2-methylbenzene-1,4-diol
ethyl 1-benzyl-4-oxopiperidine-3-carboxylate hydrochloride
Conditions | Yield |
---|---|
28% |
ethyl 1-benzyl-4-oxopiperidine-3-carboxylate hydrochloride
5-(phenoxymethyl)-2-amino-2-oxazoline
Conditions | Yield |
---|---|
With potassium carbonate In ethanol; water at 25℃; for 48h; cyclocondensation; | A 26% B 12% |
This chemical is called 3-Piperidinecarboxylicacid, 4-oxo-1-(phenylmethyl)-, ethyl ester, hydrochloride (1:1), and its systematic name is ethyl 1-benzyl-4-oxopiperidine-3-carboxylate hydrochloride (1:1). With the molecular formula of C15H20ClNO3, its CAS registry number is 1454-53-1. Additionally, its product categories are Pharmacetical; Piperidine Derivative; API intermediates; Building Blocks; Heterocyclic Building Blocks; Piperidones; Pharmaceutical Intermediates.
Other characteristics of the 3-Piperidinecarboxylicacid, 4-oxo-1-(phenylmethyl)-, ethyl ester, hydrochloride (1:1) can be summarised as followings: (1)ACD/LogP: 1.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.27; (4)ACD/LogD (pH 7.4): 1.83; (5)ACD/BCF (pH 5.5): 3.98; (6)ACD/BCF (pH 7.4): 14.41; (7)ACD/KOC (pH 5.5): 64.24; (8)ACD/KOC (pH 7.4): 232.65; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 46.61 Å2; (13)Flash Point: 183.4 °C; (14)Enthalpy of Vaporization: 62.78 kJ/mol; (15)Boiling Point: 379.7 °C at 760 mmHg; (16)Vapour Pressure: 5.74E-06 mmHg at 25°C.
Uses of this chemical: The 3-Piperidinecarboxylicacid, 4-oxo-1-(phenylmethyl)-, ethyl ester, hydrochloride (1:1) could react with acetic acid-(2,3-dihydro-benzofuran-6-yl ester), and obtain the C21H19NO3*ClH. This reaction needs the reagent of hydrogen chloride, and the solvent of acetic acid. The yield is 75 %. In addition, this reaction should be taken for 5 days at the ambient temperature.
When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1.SMILES: Cl.O=C2CCN(Cc1ccccc1)CC2C(=O)OCC
2.InChI: InChI=1/C15H19NO3.ClH/c1-2-19-15(18)13-11-16(9-8-14(13)17)10-12-6-4-3-5-7-12;/h3-7,13H,2,8-11H2,1H3;1H
3.InChIKey: YPFMNHZRNXPYBG-UHFFFAOYAP
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