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Cas Database |
| Name |
4-Amino-1-boc-piperidine |
EINECS | 1312995-182-4 |
| CAS No. | 87120-72-7 | Density | 1.041 g/cm3 |
| PSA | 55.56000 | LogP | 1.98280 |
| Solubility | Insoluble in water. | Melting Point |
50 °C |
| Formula | C10H20N2O2 | Boiling Point | 277.3 °C at 760 mmHg |
| Molecular Weight | 200.281 | Flash Point | 121.5 °C |
| Transport Information | N/A | Appearance | white to light yellow crystal powder |
| Safety | 22-26-36/37/39 | Risk Codes | 20/21/22-36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xn,  Xi
|
| Synonyms |
1,1-Dimethylethyl4-amino-1-piperidinecarboxylate;1-(t-Butoxycarbonyl)-4-aminopiperidine;1-tert-Butoxycarbonyl-4-aminopiperidine;4-Amino-1-(tert-butyloxycarbonyl)piperidine;4-Amino-1-piperidinecarboxylic acid 1,1-dimethylethyl ester;4-Amino-1-tert-butoxycarbonylpiperidine;4-Amino-N-Boc-piperidine;4-Aminopiperidine-1-carboxylic acid tert-butyl ester;N-Boc-4-aminopiperidine;N-tert-Butoxycarbonyl-4-aminopiperidine;[N-(tert-Butoxycarbonyl)piperidin-4-yl]amine;tert-Butyl4-aminopiperidine-1-carboxylate; |
Article Data | 53 |
4-Amino-1-boc-piperidine Synthetic route
- 206273-87-2
4-benzylamino-piperidine-1-carboxylic acid tert-butyl ester
- 87120-72-7
1-(tert-butoxycarbonyl)-4-aminopiperidine
| Conditions | Yield |
|---|---|
| With hydrogen; palladium 10% on activated carbon In ethanol under 5320.36 Torr; | 98% |
| With hydrogen; palladium 10% on activated carbon In ethanol | 98% |
| With hydrogen; palladium on activated charcoal In methanol |
- 150008-24-5
tert-butyl 4-(hydroxyimino)piperidine-1-carboxylate
- 87120-72-7
1-(tert-butoxycarbonyl)-4-aminopiperidine
| Conditions | Yield |
|---|---|
| With hydrogen; Raney nickel In ethanol under 2585.81 Torr; | 98% |
| With Raney nickel In methanol at 20℃; for 4h; | 83% |
| With hydrogen; 5% rhodium on activated aluminium oxide In methanol at 50℃; |
- 79099-07-3
N-tert-butyloxycarbonylpiperidin-4-one
- 87120-72-7
1-(tert-butoxycarbonyl)-4-aminopiperidine
| Conditions | Yield |
|---|---|
| Stage #1: N-tert-butyloxycarbonylpiperidin-4-one With hydroxylamine hydrochloride; sodium carbonate In water at 23℃; for 14h; Stage #2: With hydrogen; Raney Ni In ethanol under 2585.81 Torr; for 3.5h; Solid phase; | 96% |
| In ammonia-saturated methanol; aluminum nickel | 95.4% |
| Stage #1: N-tert-butyloxycarbonylpiperidin-4-one With titanium(IV) isopropylate; ammonia In ethanol at 25℃; for 6h; Stage #2: With sodium tetrahydroborate In ethanol at 25℃; for 3h; Further stages.; | 88% |
A
- 434-45-7
1,1,1-trifluoroacetophenone
B
- 87120-72-7
1-(tert-butoxycarbonyl)-4-aminopiperidine
| Conditions | Yield |
|---|---|
| With chloro-trimethyl-silane; lithium chloride | A n/a B 90% |
- 87120-72-7
1-(tert-butoxycarbonyl)-4-aminopiperidine
| Conditions | Yield |
|---|---|
| With chloro-trimethyl-silane; lithium chloride In N,N-dimethyl-formamide at 60℃; for 12h; | 90% |
- 13035-19-3
4-aminopiperidine
- 24424-99-5
di-tert-butyl dicarbonate
- 87120-72-7
1-(tert-butoxycarbonyl)-4-aminopiperidine
| Conditions | Yield |
|---|---|
| Stage #1: 4-aminopiperidine; di-tert-butyl dicarbonate In 4-methyl-2-pentanone at 0 - 20℃; for 0.5h; Inert atmosphere; Reflux; Stage #2: With water In isopropyl alcohol at 50℃; | 85% |
| In dichloromethane at 0℃; for 5h; | 71.9% |
| Stage #1: 4-aminopiperidine With benzaldehyde In toluene for 3h; Heating / reflux; Stage #2: di-tert-butyl dicarbonate In toluene at 20℃; | |
| With triethylamine In 1,4-dioxane; water | |
| With triethylamine In 1,4-dioxane; water |
- 153198-06-2
tert-butyl 4-(2,2,2-trifluoroacetamido)piperidine-1-carboxylate
- 87120-72-7
1-(tert-butoxycarbonyl)-4-aminopiperidine
| Conditions | Yield |
|---|---|
| With ammonium hydroxide In methanol for 2h; Heating; | 81% |
| With ammonium hydroxide In methanol for 6h; Heating; | 5.75 g |
| With sodium bicarbonate; potassium carbonate In methanol |
- 87120-72-7
1-(tert-butoxycarbonyl)-4-aminopiperidine
| Conditions | Yield |
|---|---|
| With palladium on activated charcoal; hydrogen In methanol at 25℃; for 16h; | 81% |
- 873088-90-5
1,1-dimethylethyl 4-[bis(phenylmethyl)amino]-1-piperidinecarboxylate
- 87120-72-7
1-(tert-butoxycarbonyl)-4-aminopiperidine
| Conditions | Yield |
|---|---|
| With hydrogen; palladium(II) hydroxide In tetrahydrofuran; ethanol at 23℃; under 760.051 Torr; for 6h; Inert atmosphere; | 77% |
- 180695-80-1
tert-butyl 4-azidopiperidine-1-carboxylate
- 87120-72-7
1-(tert-butoxycarbonyl)-4-aminopiperidine
| Conditions | Yield |
|---|---|
| With ammonium hydroxide; triphenylphosphine In 1,4-dioxane; methanol at 27 - 28℃; for 0.5h; | 44% |
| With hydrogen; palladium on activated charcoal In methanol under 2068.59 Torr; | |
| palladium-carbon In methanol | |
| palladium-carbon In methanol; hexane; ethyl acetate |
4-Amino-1-boc-piperidine Specification
The 4-Amino-1-boc-piperidine is the chemical compound with the formula C10H20N2O2. Its molecular weight is 200.28. It is white to light yellow crystal powder. With cas registry number of 87120-72-7, it belongs to the categories of (1)Amino acid; (2)Amines; (3)blocks; (4)Amines and Anilines; (5)Piperidines, Piperidones,Piperazines; (6)pharmacetical; (7)Pyrans, Piperidines & Piperazines; (8)API intermediates; (9)Piperidines; (10)Piperazine; (11)Pyrans, Piperidines & Piperazines.
Physical properties of 4-Amino-1-boc-piperidine are: (1) ACD/LogP: 1.09 ; (2) # of Rule of 5 Violations: 0 ; (3) ACD/LogD (pH 5.5): ; (4) ACD/LogD (pH 7.4): ; (5) ACD/BCF (pH 5.5): 1 ; (6) ACD/BCF (pH 7.4): 1 ; (7) ACD/KOC (pH 5.5): 1 ; (8) ACD/KOC (pH 7.4): 1.004 ; (9) #H bond acceptors: 4 ; (10) #H bond donors: 2 ; (11) #Freely Rotating Bonds: 3 ; (12) Index of Refraction: 1.484 ; (13) Molar Refractivity: 54.993 cm3 ; (14) Molar Volume: 192.269 cm3 ; (15) Surface Tension: 37.816 dyne/cm ; (16) Density: 1.042 g/cm3 ; (17) Flash Point: 121.509 °C ; (18) Enthalpy of Vaporization: 51.586 kJ/mol ; (19) Boiling Point: 277.303 °C at 760 mmHg ; (20) Vapour Pressure: 0.005 mmHg at 25°C.
Preparation of 4-Amino-1-boc-piperidine : This chemical can be prepared by 4-(2,2,2-trifluoro-acetylamino)-piperidine-1-carboxylic acid tert-butyl ester .
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The reaction will use reagent aq. NH3, solvent Methanol and other conditions like heating. The reaction time is about 6 hours. Yield is about 5.75 g.
Uses of 4-Amino-1-boc-piperidine : It is used to prepare other chemicals. Here is a example below.
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The reaction occurs at the temperature of 120 ℃ using reagents of K2CO3, KI, solvent of dimethylformamide for 24 hours. The yield is 58%.
When you are using this chemical, please be cautious about it as the following:
This chemical is sensitive to CO2. It is harmful by inhalation, in contact with skin and if swallowed and irritating to eyes, respiratory system and skin. Wear suitable protective clothing, gloves and eye/face protection before use it. During use it, do not breathe dust. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Keep it under argon.
You can still convert the following datas into molecular structure:
(1) SMILES:CC(C)(C)OC(=O)N1CCC(CC1)N;
(2) InChI:InChI=1/C10H20N2O2/c1-10(2,3)14-9(13)12-6-4-8(11)5-7-12/h8H,4-7,11H2,1-3H3;
(3) InChIKey:LZRDHSFPLUWYAX-UHFFFAOYAC
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