1,2-Piperidinedicarboxylicacid, 1-(1,1-dimethylethyl) ester (98303-20-9)

The IUPAC name of N-Boc-2-piperidinecarboxylic acid is 1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid. With the CAS registry number 98303-20-9, it is also named as 1-(tert-Butoxycarbonyl)piperidine-2-carboxylic acid. The product's categories are amino acids and derivatives; carboxylic acids; pyrans, piperidines & piperazines; piperidine; carboxylic acids. It is white crystalline powder which is insoluble in water and stable under normal temperature and pressure. Additionally, this chemical should be sealed in the container and stored in the cool and dry place.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 1.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.36; (4)ACD/LogD (pH 7.4): -2.09; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 3.21; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.496; (13)Molar Refractivity: 57.54 cm³; (14)Molar Volume: 196.9 cm³; (15)Polarizability: 22.81×10^-24 cm³; (16)Surface Tension: 44.7 dyne/cm; (17)Enthalpy of Vaporization: 65.71 kJ/mol; (18)Vapour Pressure: 6.15E-06 mmHg at 25°C; (19)Rotatable Bond Count: 3; (20)Exact Mass: 229.131408; (21)MonoIsotopic Mass: 229.131408; (22)Topological Polar Surface Area: 66.8; (23)Heavy Atom Count: 16; (24)Complexity: 282.

Preparation of N-Boc-2-piperidinecarboxylic acid: It can be obtained by piperidine-2-carboxylic acid and di(tert-butyl) carbonate. This reaction needs reagent aq. NaHCO₃ at ambient temperature. The yield is 57%.

Uses of N-Boc-2-piperidinecarboxylic acid: It reacts with benzylamine to get (R,S)-N-benzyl-1-(tert-butoxycarbonyl)-2-piperidinecarboxamide. This reaction needs reagent N-methylmorpholine and isobutyl chloroformate and solvent tetrahydrofuran at temperature of -15 - -20 °C. The yield is 75%.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing. 

People can use the following data to convert to the molecule structure.
1. SMILES:O=C(OC(C)(C)C)N1C(C(=O)O)CCCC1
2. InChI:InChI=1/C11H19NO4/c1-11(2,3)16-10(15)12-7-5-4-6-8(12)9(13)14/h8H,4-7H2,1-3H3,(H,13,14)