N-BOC-3-Aminopiperidine

The IUPAC name of N-BOC-3-Aminopiperidine is tert-butyl 3-aminopiperidine-1-carboxylate. With the CAS registry number 184637-48-7, it is also named as 3-Aminopiperidine-1-carboxylic acid tert-butyl ester. The product's categories are Pharmaceutical Intermediates; Aminoacid; Pharmacetical; Piperidine; Chiral Reagent; Piperidines. In addition, its molecular formula is C₁₀H₂₀N₂O₂ and molecular weight is 200.28.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 0.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.35; (4)ACD/LogD (pH 7.4): -1.53; (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; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 32.78 Å²; (13)Index of Refraction: 1.483; (14)Molar Refractivity: 54.99 cm³; (15)Molar Volume: 192.2 cm³; (16)Polarizability: 21.8×10^-24cm³; (17)Surface Tension: 37.8 dyne/cm; (18)Density: 1.041 g/cm³; (19)Flash Point: 121.5 °C; (20)Melting Point: 181-182 °C; (21)Enthalpy of Vaporization: 51.59 kJ/mol; (22)Boiling Point: 277.3 °C at 760 mmHg; (23)Vapour Pressure: 0.00456 mmHg at 25 °C.

Preparation of N-BOC-3-Aminopiperidine: this chemical can be prepared by 3-Azido-1-tert-butoxycarbonylpiperidine.



This reaction needs H₂, 10percent Pd/C, Acetic acid and Methanol at ambient temperature. The reaction time is 24 hours. The yield is 69 %.

Uses of N-BOC-3-Aminopiperidine: it can react with 1,4-Dibromo-butane to get 1-(tert-Butoxycarbonyl)-3-(1-pyrrolidinyl)piperidine.



This reaction needs K₂CO₃ and Dimethylformamide at temperature of 55 °C for 72 hours. The yield is 100 %.

When you are using this chemical, please be cautious about it as the following: it is irritating to eyes, respiratory system and skin. It is also harmful if swallowed. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice.

People can use the following data to convert to the molecule structure.
(1)SMILES: O=C(OC(C)(C)C)N1CCCC(N)C1
(2)InChI: InChI=1/C10H20N2O2/c1-10(2,3)14-9(13)12-6-4-5-8(11)7-12/h8H,4-7,11H2,1-3H3
(3)InChIKey: AKQXKEBCONUWCL-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)12-6-4-5-8(11)7-12/h8H,4-7,11H2,1-3H3
(5)Std. InChIKey: AKQXKEBCONUWCL-UHFFFAOYSA-N