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| CAS No.: | 98977-36-7 |
|---|---|
| Name: | 1-Boc-3-piperidone |
| Molecular Structure: | |
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| Formula: | C10H17NO3 |
| Molecular Weight: | 199.25 |
| Synonyms: | tert-butyl 3-oxopiperidine-1-carboxylate;1-N-Boc-3-piperidone;N-Boc-3-piperidinone;N-(tert-Butoxycarbonyl)-3-piperidinone;3-Oxopiperidine, N-BOC protected;N-Boc-3-piperidone;1-Boc-3-piperidone, 98%;Boc-3-piperidone;tert-butyl-3-oxopiperidine-1-carboxylate;3-Oxo-piperidine-1-carboxylic acid tert-butyl ester; |
| EINECS: | 629-575-1 |
| Density: | 1.099 g/cm3 |
| Melting Point: | 35-40 °C(lit.) |
| Boiling Point: | 289.825 °C at 760 mmHg |
| Flash Point: | 129.082 °C |
| Solubility: | It is insoluble in water. |
| Appearance: | white to yellow low melting solid |
| Safety: | 24/25 |
| PSA: | 46.61000 |
| LogP: | 1.52430 |
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- 99735-47-4((R)-1-((R)-1-phenylethyl)pyrrolidin-3-yl)methanol
- 99735-45-2(R)-methyl 5-oxo-1-((R)-1-phenylethyl)pyrrolidine-3-carboxylate
- 99533-99-03'-MERCAPTOACETAMINOPHEN
- 85275-45-2
N-tert-butoxycarbonyl-3-piperidinol
- 98977-36-7
3-oxo-piperidine-1-carboxylic acid tert-butyl ester
| Conditions | Yield |
|---|---|
| With sodium hypochlorite solution; sodium hydrogencarbonate; potassium bromide In dichloromethane at 5 - 10℃; pH=8.5; Reagent/catalyst; | 99.4% |
| With Dess-Martin periodane In dichloromethane at 20℃; for 22h; Inert atmosphere; | 97% |
| With sodium hypochlorite; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; sodium hydrogencarbonate; sodium bromide In diethyl ether; water; toluene at 0 - 4℃; | 95% |
- 98977-36-7
3-oxo-piperidine-1-carboxylic acid tert-butyl ester
| Conditions | Yield |
|---|---|
| With hydrogen; palladium dihydroxide In methanol; dichloromethane | 97% |
- 40114-49-6
1-benzyl-3-piperidone
- 24424-99-5
di-tert-butyl dicarbonate
- 98977-36-7
3-oxo-piperidine-1-carboxylic acid tert-butyl ester
| Conditions | Yield |
|---|---|
| Stage #1: 1-benzyl-3-piperidone With hydrogenchloride; palladium 10% on activated carbon; hydrogen In methanol; water at 20℃; for 2h; Stage #2: With N-ethyl-N,N-diisopropylamine In methanol; water for 0.5h; Stage #3: di-tert-butyl dicarbonate In methanol; water at 20℃; for 5h; Concentration; Reagent/catalyst; | 84.2% |
- 1179348-67-4
C12H23NO4S
- 98977-36-7
3-oxo-piperidine-1-carboxylic acid tert-butyl ester
| Conditions | Yield |
|---|---|
| With bis(1,5-cyclooctadiene)diiridium(I) dichloride In 1,2-dichloro-ethane at 70℃; | 82% |
| With bis(1,5-cyclooctadiene)diiridium(I) dichloride In 1,2-dichloro-ethane at 70℃; for 18h; Inert atmosphere; | 82% |
- 79-37-8
oxalyl dichloride
- 85275-45-2
N-tert-butoxycarbonyl-3-piperidinol
- 98977-36-7
3-oxo-piperidine-1-carboxylic acid tert-butyl ester
| Conditions | Yield |
|---|---|
| With ammonium chloride; trimethylamine In dichloromethane; dimethyl sulfoxide | 78% |
- 276872-89-0
tert-butyl 3-methylidenepiperidine-1-carboxylate
- 98977-36-7
3-oxo-piperidine-1-carboxylic acid tert-butyl ester
| Conditions | Yield |
|---|---|
| With 2,6-dimethylpyridine; sodium periodate; ruthenium(III) chloride trihydrate In dichloromethane; water; acetonitrile at 20℃; for 1h; Inert atmosphere; | 68% |
- 24424-99-5
di-tert-butyl dicarbonate
- 50717-82-3, 74279-87-1, 74279-88-2
piperidin-3-one
- 98977-36-7
3-oxo-piperidine-1-carboxylic acid tert-butyl ester
| Conditions | Yield |
|---|---|
| With triethylamine In tetrahydrofuran at 0℃; for 2h; Yield given; | |
| With sodium hydrogencarbonate In tetrahydrofuran for 4h; | 2.93 g |
| With sodium hydrogencarbonate In tetrahydrofuran; water for 4h; |
- 98977-36-7
3-oxo-piperidine-1-carboxylic acid tert-butyl ester
| Conditions | Yield |
|---|---|
| With triethylamine In dichloromethane at 0℃; for 1h; Swern oxidation; |
- 24424-99-5
di-tert-butyl dicarbonate
- 98977-36-7
3-oxo-piperidine-1-carboxylic acid tert-butyl ester
| Conditions | Yield |
|---|---|
| Stage #1: 1-benzyl-3-piperidone monohydrochloride monohydrate With hydrogen; palladium on activated charcoal In methanol under 2844.31 Torr; Stage #2: di-tert-butyl dicarbonate With sodium hydrogencarbonate In tetrahydrofuran for 48h; | 56.6 g |
- 6859-99-0
3-hydroxypiperazine
- 98977-36-7
3-oxo-piperidine-1-carboxylic acid tert-butyl ester
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: NaOH / tetrahydrofuran; H2O / 1 h / 20 °C 2: triethylamine; SO3*NMe3; DMSO / 18 h / 20 °C View Scheme | |
| Multi-step reaction with 2 steps 1: NaOH / H2O; tetrahydrofuran / 1 h / 20 °C 2: 15.6 g / triethylamine; trioxide-trimethylamine complex / dimethylsulfoxide / 18 h / 20 °C View Scheme | |
| Multi-step reaction with 2 steps 1: NaOH / tetrahydrofuran; H2O / 1 h / 20 °C 2: 15.6 g / DMSO; SO3*Me3N; triethylamine / 18 h / 20 °C View Scheme |
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Specification
1-Boc-3-piperidone, with the CAS Number 98977-36-7, is also called 1-(tert-Butoxycarbonyl)-3-piperidone~tert-Butyl 3-oxo-1-piperidinecarboxylate; 1-Boc-3-piperidinone; T-BUTYL-3-PIPERIDONE-1-CARBOXYLATE; TERT-BUTYL 3-OXOPIPERIDINE-1-CARBOXYLATE; N-Boc-3-piperidone. And it is white to yellow solid or liquid. 1-Boc-3-piperidone is useful in stereocontrolled synthesis of chiral compounds.
Physical properties about 1-Boc-3-piperidone are: (1)ACD/LogP: 0.761; (2)ACD/LogD (pH 5.5): 0.76; (3)ACD/LogD (pH 7.4): 0.76; (4)ACD/BCF (pH 5.5): 2.23; (5)ACD/BCF (pH 7.4): 2.23; (6)ACD/KOC (pH 5.5): 61.81; (7)ACD/KOC (pH 7.4): 61.81; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.481; (11)Molar Refractivity: 51.57 cm3; (12)Molar Volume: 181.195 cm3; (13)Polarizability: 20.444 10-24cm3; (14)Surface Tension: 39.5019989013672 dyne/cm; (15)Density: 1.1 g/cm3; (16)Flash Point: 129.082 °C; (17)Enthalpy of Vaporization: 52.915 kJ/mol; (18)Boiling Point: 289.825 °C at 760 mmHg; (19)Vapour Pressure: 0.0020000000949949 mmHg at 25°C
You can still convert the following datas into molecular structure:
(1)SMILES:CC(C)(C)OC(=O)N1CCCC(=O)C1;
(2)Std. InChI:InChI=1S/C10H17NO3/c1-10(2,3)14-9(13)11-6-4-5-8(12)7-11/h4-7H2,1-3H3;
(3)Std. InChIKey:RIFXIGDBUBXKEI-UHFFFAOYSA-N