Boc-ONb

The Boc-ONb, with the CAS registry number 64205-15-8, is also known as (1R,2S,6R,7S)-4-[(tert-Butoxycarbonyl)oxy]-4-azatricyclo[5.2.1.0^2,6]dec-8-ene-3,5-dione. This chemical's molecular formula is C₁₄H₁₇NO₅ and molecular weight is 279.29. What's more, its systematic name is called (3aR,4S,7R,7aS)-2-[(tert-Butoxycarbonyl)oxy]-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione.

Physical properties about Boc-ONb are: (1)ACD/LogP: 1.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 4; (6)ACD/BCF (pH 7.4): 4; (7)ACD/KOC (pH 5.5): 99; (8)ACD/KOC (pH 7.4): 99; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 72.91 Å²; (13)Index of Refraction: 1.566; (14)Molar Refractivity: 68.281 cm³; (15)Molar Volume: 209.406 cm³; (16)Surface Tension: 51.339 dyne/cm; (17)Density: 1.334 g/cm³; (18)Flash Point: 172.065 °C; (19)Enthalpy of Vaporization: 60.666 kJ/mol; (20)Boiling Point: 360.898 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.

Uses of Boc-ONb: it is used to produce other chemicals. For example, it is used to produce N-tert-Butoxycarbonyl-L-alanine. This reaction needs reagent Tertiary amine and solvents H₂O, Dioxane for 3 hours. The yield is 87 %.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC(C)(C)C)ON2C(=O)[C@@H]3[C@@H]1\C=C/[C@@H](C1)[C@@H]3C2=O
(2) InChI: InChI=1/C14H17NO5/c1-14(2,3)19-13(18)20-15-11(16)9-7-4-5-8(6-7)10(9)12(15)17/h4-5,7-10H,6H2,1-3H3/t7-,8+,9-,10+
(3) InChIKey: SMTQMXCDEUEZRS-YNFQOJQRBV