4-carbamoyl-piperidine-1-carboxylic acid tert-butyl ester
tert-butyl 4-carbamothioylpiperidine-1-carboxylate
Conditions | Yield |
---|---|
With Lawessons reagent In 1,2-dimethoxyethane; dichloromethane at 20℃; | 92% |
With Lawessons reagent In 1,2-dimethoxyethane; dichloromethane at 20℃; | 92% |
With Lawessons reagent In 1,2-dimethoxyethane; dichloromethane at 20℃; for 1.33333h; | 82% |
1-tert-butoxycarbonyl-4-cyanopiperidine
tert-butyl 4-carbamothioylpiperidine-1-carboxylate
Conditions | Yield |
---|---|
With sodium hydrogen sulfide; ammonium chloride In N,N-dimethyl-formamide; mineral oil at 20℃; for 72h; | 95% |
With sodium hydrogen sulfide; ammonium chloride In N,N-dimethyl-formamide at 20℃; for 72h; | 95% |
With sodium hydrogen sulfide; ammonium chloride In N,N-dimethyl-formamide at 20℃; for 72h; |
4-carboxamidopiperidine
tert-butyl 4-carbamothioylpiperidine-1-carboxylate
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: dmap / dichloromethane / 2 h / 20 °C 2: Lawessons reagent / dichloromethane; 1,2-dimethoxyethane / 1.33 h / 20 °C View Scheme | |
Multi-step reaction with 2 steps 1: dmap / dichloromethane / 2 h / 20 °C 2: Lawessons reagent / dichloromethane; 1,2-dimethoxyethane / 1.33 h / 20 °C View Scheme | |
Multi-step reaction with 2 steps 1: N,N-dimethyl-formamide / 5 h / 1 °C 2: Lawessons reagent / tetrahydrofuran / 3 h / Reflux; Inert atmosphere View Scheme |
di-tert-butyl dicarbonate
tert-butyl 4-carbamothioylpiperidine-1-carboxylate
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: dmap / dichloromethane / 2 h / 20 °C 2: Lawessons reagent / dichloromethane; 1,2-dimethoxyethane / 1.33 h / 20 °C View Scheme | |
Multi-step reaction with 2 steps 1: dmap / dichloromethane / 2 h / 20 °C 2: Lawessons reagent / dichloromethane; 1,2-dimethoxyethane / 1.33 h / 20 °C View Scheme | |
Multi-step reaction with 2 steps 1: N,N-dimethyl-formamide / 5 h / 1 °C 2: Lawessons reagent / tetrahydrofuran / 3 h / Reflux; Inert atmosphere View Scheme |
N-[(tert-butoxy)carbonyl]piperidine-4-carboxylic acid
tert-butyl 4-carbamothioylpiperidine-1-carboxylate
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1.1: 1,1-carbonyldiimidazole / tetrahydrofuran / 1.5 h / 20 °C 1.2: 2.50 g / NH3 / methanol; tetrahydrofuran / 0 - 20 °C 2.1: 38 percent / Lawesson's reagent / tetrahydrofuran / 3 h / Heating View Scheme | |
Multi-step reaction with 2 steps 1.1: 1,1'-carbonyldiimidazole / tetrahydrofuran / 16 h / 0 - 20 °C 1.2: 20 h / 0 - 20 °C 2.1: Lawessons reagent / tetrahydrofuran / 22 h / 20 °C / Reflux View Scheme | |
Multi-step reaction with 2 steps 1.1: dicyclohexyl-carbodiimide / dichloromethane / 0.5 h 1.2: 12 h / 20 °C 2.1: Lawessons reagent / 1,4-dioxane / 4 h / 70 °C View Scheme |
4-carbamoyl-piperidine-1-carboxylic acid tert-butyl ester
tert-butyl 4-carbamothioylpiperidine-1-carboxylate
Conditions | Yield |
---|---|
In 1,4-dioxane; hexane |
4-carboxamidopiperidine
di-tert-butyl dicarbonate
tert-butyl 4-carbamothioylpiperidine-1-carboxylate
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: dmap / acetonitrile / 20 °C 2: Lawessons reagent / dichloromethane; 1,2-dimethoxyethane / 20 °C View Scheme | |
Multi-step reaction with 2 steps 1: dmap / acetonitrile / 20 °C 2: Lawessons reagent / dichloromethane; 1,2-dimethoxyethane / 20 °C View Scheme |
isonipecotic acid
tert-butyl 4-carbamothioylpiperidine-1-carboxylate
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1.1: sodium hydroxide / water; tert-butyl alcohol / 3 h / 10 - 20 °C 2.1: 1,1'-carbonyldiimidazole / tetrahydrofuran / 16 h / 0 - 20 °C 2.2: 20 h / 0 - 20 °C 3.1: Lawessons reagent / tetrahydrofuran / 22 h / 20 °C / Reflux View Scheme |
tert-butyl 4-carbamothioylpiperidine-1-carboxylate
1,3-Dichloroacetone
1,1-dimethylethyl 4-[4-(chloromethyl)-1,3-thiazol-2-yl]piperidine-1-carboxylate
Conditions | Yield |
---|---|
With magnesium sulfate; magnesium carbonate In acetone for 12h; Reflux; Inert atmosphere; | 92% |
With magnesium sulfate; magnesium carbonate In acetone at 65℃; for 4h; | 92.7% |
With magnesium sulfate; magnesium carbonate In acetone Heating / reflux; |
tert-butyl 4-carbamothioylpiperidine-1-carboxylate
ethyl Bromopyruvate
ethyl 2-(1-(tert-butoxycarbonyl)piperidin-4-yl)thiazole-4-carboxylate
Conditions | Yield |
---|---|
In methanol for 4h; Reflux; | 96.5% |
Stage #1: tert-butyl 4-carbamothioylpiperidine-1-carboxylate; ethyl Bromopyruvate In DMF (N,N-dimethyl-formamide) at 0 - 20℃; Stage #2: With triethylamine In DMF (N,N-dimethyl-formamide) | 82% |
Stage #1: tert-butyl 4-carbamothioylpiperidine-1-carboxylate; ethyl Bromopyruvate In ethanol at 0 - 20℃; Stage #2: With triethylamine In ethanol | 74.2% |
tert-butyl 4-carbamothioylpiperidine-1-carboxylate
2-bromo-1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
4-[4-(5-Bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-thiazol-2-yl]-piperidine-1-carboxylic acid tert-butyl ester
Conditions | Yield |
---|---|
Stage #1: tert-butyl 4-carbamothioylpiperidine-1-carboxylate; 2-bromo-1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone In tetrahydrofuran at 20℃; for 3h; Stage #2: With water; sodium hydrogencarbonate In tetrahydrofuran | 100% |
Stage #1: tert-butyl 4-carbamothioylpiperidine-1-carboxylate; 2-bromo-1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone In tetrahydrofuran at 20℃; for 3h; Stage #2: With sodium hydrogencarbonate In tetrahydrofuran; water | 100% |
In tetrahydrofuran at 20℃; for 3h; | 100% |
tert-butyl 4-carbamothioylpiperidine-1-carboxylate
α-bromoacetophenone
4-(4-phenylthiazol-2-yl)piperidine-1-carboxylic acid tert-butyl ester
Conditions | Yield |
---|---|
With sodium hydrogencarbonate In ethanol for 3h; Reflux; | 93.2% |
With potassium carbonate In N,N-dimethyl-formamide at 110℃; for 1.5h; | 55.2% |
With potassium carbonate In N,N-dimethyl-formamide at 110℃; for 1.5h; | 55% |
In tetrahydrofuran at 70℃; | 1.65 g |
tert-butyl 4-carbamothioylpiperidine-1-carboxylate
2-bromo-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone
C21H26N2O4S
Conditions | Yield |
---|---|
In N,N-dimethyl-formamide at 0 - 20℃; | 68% |
Stage #1: tert-butyl 4-carbamothioylpiperidine-1-carboxylate; 2-bromo-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone In N,N-dimethyl-formamide at 0 - 20℃; Stage #2: With triethylamine In N,N-dimethyl-formamide at 20℃; for 0.5h; | 68% |
tert-butyl 4-carbamothioylpiperidine-1-carboxylate
2-Bromo-1-(3,4-dimethoxyphenyl)ethanone
Conditions | Yield |
---|---|
With potassium carbonate In N,N-dimethyl-formamide at 110℃; for 16h; | 91% |
tert-butyl 4-carbamothioylpiperidine-1-carboxylate
ethyl Bromopyruvate
4-(2-ethoxycarbonyl-2-oxo-ethylsulanylcarbonimidoyl)-piperidine-1-carboxylic acid tert-butyl ester
Conditions | Yield |
---|---|
With sodium acetate In ethyl acetate at 5℃; for 16h; | 75% |
tert-butyl 4-carbamothioylpiperidine-1-carboxylate
ethyl Bromopyruvate
2-piperidine-4-yl-thiazole-4-carboxylic acid ethyl ester
Conditions | Yield |
---|---|
Stage #1: tert-butyl 4-carbamothioylpiperidine-1-carboxylate; ethyl Bromopyruvate In ethanol at 70℃; for 1.5h; Stage #2: With sodium carbonate In water | 74% |
tert-butyl 4-carbamothioylpiperidine-1-carboxylate
Conditions | Yield |
---|---|
With tetrabutylammomium bromide In tetrahydrofuran at 20℃; for 12h; | 56% |
tert-butyl 4-carbamothioylpiperidine-1-carboxylate
N-(2-chloro-3-(2-(2-chloropyrimidin-4-yl)acetyl)phenyl)propane-1-sulfonamide
1,1-dimethylethyl 4-[4-{2-chloro-3-[(propylsulfonyl)amino]phenyl}-5-(2-chloro-4-pyrimidinyl)-1,3-thiazol-2-yl]-1-piperidinecarboxylate
Conditions | Yield |
---|---|
Stage #1: N-(2-chloro-3-(2-(2-chloropyrimidin-4-yl)acetyl)phenyl)propane-1-sulfonamide With N-Bromosuccinimide In ISOPROPYLAMIDE at 20℃; for 1.33333h; Inert atmosphere; Stage #2: tert-butyl 4-carbamothioylpiperidine-1-carboxylate In ISOPROPYLAMIDE at 20℃; for 72h; Inert atmosphere; | 54% |
tert-butyl 4-carbamothioylpiperidine-1-carboxylate
α-bromoacetophenone
4-(phenylthiazol-2-yl)-piperidine hydrobromide
Conditions | Yield |
---|---|
In methanol at 70℃; for 22h; | 96% |
tert-butyl 4-carbamothioylpiperidine-1-carboxylate
1-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yI)-2-chIoroethanone
tert-butyl 4-[4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-1,3-thiazoI-2-yl]piperidine-1-carboxylate
Conditions | Yield |
---|---|
In ethanol at 20 - 78℃; | 96% |
tert-butyl 4-carbamothioylpiperidine-1-carboxylate
α-bromoacetophenone
4-(4-phenyl-1,3-thiazol-2-yl)piperidine
Conditions | Yield |
---|---|
Stage #1: tert-butyl 4-carbamothioylpiperidine-1-carboxylate; α-bromoacetophenone In ethanol for 17h; Reflux; Inert atmosphere; Stage #2: With ammonia In methanol | 90% |
tert-butyl 4-carbamothioylpiperidine-1-carboxylate
1-chloro 1-(3-methylphenyl)acetone
Conditions | Yield |
---|---|
With sodium acetate; acetic acid at 80℃; | 74.6% |
With sodium acetate; acetic acid at 100℃; |
tert-butyl 4-carbamothioylpiperidine-1-carboxylate
ethyl 2-chloro-3-oxopropanoate
Conditions | Yield |
---|---|
In toluene at 90℃; for 2h; | 72% |
In toluene at 90℃; for 2h; | 2.0 g |
tert-butyl 4-carbamothioylpiperidine-1-carboxylate
Conditions | Yield |
---|---|
Stage #1: tert-butyl 4-carbamothioylpiperidine-1-carboxylate; 8-(2-bromo-acetyl)-4-oxo-4,5-dihydro-3H-pyrrolo[2,3-c]quinoline-1-ethyl carboxylate In ethanol at 90℃; for 3h; Stage #2: With triethylamine In ethanol at 20℃; | 17% |
tert-butyl 4-carbamothioylpiperidine-1-carboxylate
2-chloro-1-(4,5-dihydro-5-phenyl-3-isoxazolyl)ethanone
1,1-dimethylethyl 4-[4-(4,5-dihydro-5-phenyl-3-isoxazolyl)-2-thiazolyl]-1-piperidinecarboxylate
Conditions | Yield |
---|---|
With pyridine; tetrabutylammomium bromide In ethanol for 2.5h; Reflux; | 69% |
tert-butyl 4-carbamothioylpiperidine-1-carboxylate
3-bromocyclohexane-1,2-dione
Conditions | Yield |
---|---|
In tert-butyl alcohol at 85℃; for 5h; | 46.5% |
In pyridine; methanol Solvent; | 46.5% |
tert-butyl 4-carbamothioylpiperidine-1-carboxylate
formaldehyd
1-methylpiperidine-4-carbothioamide
Conditions | Yield |
---|---|
Stage #1: tert-butyl 4-carbamothioylpiperidine-1-carboxylate With hydrogenchloride In 1,4-dioxane for 3h; Stage #2: formaldehyd With sodium cyanoborohydride; acetic acid In methanol; water at 20℃; for 2h; Stage #3: With sodium hydrogencarbonate In water; ethyl acetate | |
Stage #1: tert-butyl 4-carbamothioylpiperidine-1-carboxylate With hydrogenchloride In 1,4-dioxane at 20℃; for 3h; Stage #2: formaldehyd With sodium cyanoborohydride; acetic acid In methanol; water at 20℃; for 2h; | 2.2 g |
tert-butyl 4-carbamothioylpiperidine-1-carboxylate
2-bromocyclohexane-1,3-dienone
Conditions | Yield |
---|---|
In ethanol at 20 - 85℃; for 4.75h; | 25.4% |
With triethylamine In tert-butyl alcohol |
tert-butyl 4-carbamothioylpiperidine-1-carboxylate
2-bromo-1-[3-(3-bromo-phenyl)-5-methyl-isoxazol-4-yl]-ethanone
2-(4-piperidine)-4-[3-(3-bromophenyl)-5-methylisoxazolyl]thiazole hydrobromide
Conditions | Yield |
---|---|
In ethanol for 2h; Heating / reflux; | 89% |
tert-butyl 4-carbamothioylpiperidine-1-carboxylate
2-bromo-1-(3,5-di-tert-butyl-4-hydroxyphenyl)ethanone
Conditions | Yield |
---|---|
Stage #1: tert-butyl 4-carbamothioylpiperidine-1-carboxylate; 2-bromo-1-(3,5-di-tert-butyl-4-hydroxyphenyl)ethanone In tetrahydrofuran; ethanol at 20℃; Stage #2: With di-tert-butyl dicarbonate; triethylamine In N,N-dimethyl-formamide at 20℃; for 1h; |
Conditions | Yield |
---|---|
Stage #1: tert-butyl 4-carbamothioylpiperidine-1-carboxylate; C10H4Br2F6O2 In tetrahydrofuran; ethanol at 45℃; for 3h; Stage #2: With di-tert-butyl dicarbonate; triethylamine In N,N-dimethyl-formamide at 20℃; for 1h; |
tert-butyl 4-carbamothioylpiperidine-1-carboxylate
C13H14BrF3O2
C24H31F3N2O3S
Conditions | Yield |
---|---|
Stage #1: tert-butyl 4-carbamothioylpiperidine-1-carboxylate; C13H14BrF3O2 In tetrahydrofuran; ethanol at 20℃; Stage #2: With di-tert-butyl dicarbonate; triethylamine In N,N-dimethyl-formamide at 20℃; for 1h; |
tert-butyl 4-carbamothioylpiperidine-1-carboxylate
2-Bromo-1-(3-bromo-4-methoxy-5-trifluoromethylphenyl)ethanone
C21H24BrF3N2O3S
Conditions | Yield |
---|---|
Stage #1: tert-butyl 4-carbamothioylpiperidine-1-carboxylate; 2-Bromo-1-(3-bromo-4-methoxy-5-trifluoromethylphenyl)ethanone In tetrahydrofuran; ethanol Stage #2: With di-tert-butyl dicarbonate; triethylamine In N,N-dimethyl-formamide at 20℃; for 1h; |
The tert-Butyl 4-(aminocarbothioyl)tetrahydropyridine-1(2H)-carboxylate with its cas register number is 214834-18-1. It also can be called as 1-tert-Butoxycarbonylpiperidine-4-carbothioamide and the IUPAC Name about this chemical is tert-butyl 4-carbamothioylpiperidine-1-carboxylate. It belongs to the following product categories, such as Pyrans, Piperidines &Piperazines and Pyrans, Piperidines & Piperazines.
Physical properties about tert-Butyl 4-(aminocarbothioyl)tetrahydropyridine-1(2H)-carboxylate are: (1)ACD/LogP: 1.63; (2)ACD/LogD (pH 5.5): 1.629; (3)ACD/LogD (pH 7.4): 1.629; (4)ACD/BCF (pH 5.5): 10.18; (5)ACD/BCF (pH 7.4): 10.181; (6)ACD/KOC (pH 5.5): 183.215; (7)ACD/KOC (pH 7.4): 183.234; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 87.65Å2; (12)Index of Refraction: 1.546; (13)Molar Refractivity: 66.807 cm3; (14)Molar Volume: 210.987 cm3; (15)Polarizability: 26.484x10-24cm3; (16)Surface Tension: 50.887 dyne/cm; (17)Enthalpy of Vaporization: 60.12 kJ/mol
When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation, in contact with skin and if swallowed, also it is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing, gloves and eye/face protection, and also not breathe dust. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)(C)OC(=O)N1CCC(CC1)C(=S)N
(2)InChI: InChI=1S/C11H20N2O2S/c1-11(2,3)15-10(14)13-6-4-8(5-7-13)9(12)16/h8H,4-7H2,1-3H3,(H2,12,16)
(3)InChIKey: SCGQNJHAAYUQOO-UHFFFAOYSA-N
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