Basic information
- Name:
1-Piperidinecarboxylicacid, 4-amino-, 1,1-dimethylethyl ester
- Superlist Name:
- 4-Amino-1-Boc-piperidine
- CAS No.:
87120-72-7
- Molecular Structure:
- Formula:
- C10H20N2O2
- Molecular Weight:
- 200.28
- 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;
- Density:
- 1.041 g/cm3
- Melting Point:
- 50 °C
- Boiling Point:
- 277.3 °C at 760 mmHg
- Flash Point:
- 121.5 °C
- Appearance:
- white to light yellow crystal powder
- Hazard Symbols:
Xn, 
Xi- Risk Codes:
- 20/21/22-36/37/38
- Safety Description:
- 22-26-36/37/39 Details
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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
