BOC-(4-AMINOMETHYL)-CYCLOHEXANE-CARBOXYLIC ACID

The Cyclohexanecarboxylicacid, 4-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]- is an organic compound with the formula C₁₃H₂₃NO₄. The systematic name of this chemical is 4-{[(Tert-butoxycarbonyl)amino]methyl}cyclohexanecarboxylic acid. With the CAS registry number 162046-58-4, it is also named as N-Tert-Butoxycarbonyl-4-(aminomethyl)-cyclohexanecarboxylic acid. The product's category is Amino Acids. Besides, it should be stored at 0 °C.

Physical properties about Cyclohexanecarboxylicacid, 4-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]- are: (1)ACD/LogP: 2.10; (2)ACD/LogD (pH 5.5): 1.45 ; (3)ACD/BCF (pH 5.5): 5.2; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 74.21; (6)ACD/KOC (pH 7.4): 1.26; (7)#H bond acceptors: 5; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 55.84 Å²; (11)Index of Refraction: 1.482; (12)Molar Refractivity: 66.97 cm³; (13)Molar Volume: 234.6 cm³; (14)Polarizability: 26.54×10^-24 cm³; (15)Surface Tension: 39.7 dyne/cm; (16)Density: 1.096 g/cm³; (17)Flash Point: 201.8 °C; (18)Enthalpy of Vaporization: 72.66 kJ/mol; (19)Boiling Point: 410 °C at 760 mmHg; (20)Vapour Pressure: 7.17E-08 mmHg at 25 °C.

Preparation: this chemical can be prepared by Di(tert-butyl) carbonate. This reaction will need reagent NaOH, and solvents H₂O; 2-Methyl-propan-2-ol. The reaction time is 18 hours. The yield is about 94%.

Uses of Cyclohexanecarboxylicacid, 4-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]-: it can be used to produce Boc-Tra-N(OCH₃)CH₃ at temperature of 0 °C. This reaction is a kind of Condensation. It will need reagents BOP; Et₃N and solvent CH₂Cl₂ with reaction time of 30 min. The yield is about 88.2%.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C13H23NO4/c1-13(2,3)18-12(17)14-8-9-4-6-10(7-5-9)11(15)16/h9-10H,4-8H2,1-3H3,(H,14,17)(H,15,16)
(2)InChIKey: AZEKNJGFCSHZID-UHFFFAOYAW
(3)Std. InChI: InChI=1S/C13H23NO4/c1-13(2,3)18-12(17)14-8-9-4-6-10(7-5-9)11(15)16/h9-10H,4-8H2,1-3H3,(H,14,17)(H,15,16)
(4)Std. InChIKey: AZEKNJGFCSHZID-UHFFFAOYSA-N