N-(tert-Butoxycarbonyl)-L-glutamine

The Boc-Gln-OH, with the CAS registry number 13726-85-7, is also known as N(alpha)-tert-Butoxycarbonyl-L-glutamine. It belongs to the product categories of Amino Acid Derivatives; Amino Acids; Glutamine [Gln, Q]; Boc-Amino Acids and Derivative; Amino Acids (N-Protected); Biochemistry; Boc-Amino Acids; Boc-Amino Acid Series. Its EINECS registry number is 237-296-8. This chemical's molecular formula is C₁₀H₁₈N₂O₅ and molecular weight is 246.26. Its IUPAC name is called (2S)-5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid. When you are using this chemical, please be cautious about it. You should not breathe its dust. Besides, you must avoid contacting it with skin and eyes.

Physical properties of Boc-Gln-OH: (1)ACD/LogP: 0.11; (2)ACD/LogD (pH 5.5): -2.02; (3)ACD/LogD (pH 7.4): -3.46; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 7; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 7; (11)Index of Refraction: 1.494; (12)Molar Refractivity: 58.8 cm³; (13)Molar Volume: 201.7 cm³; (14)Surface Tension: 48 dyne/cm; (15)Density: 1.22 g/cm³; (16)Flash Point: 261.7 °C; (17)Enthalpy of Vaporization: 85.33 kJ/mol; (18)Boiling Point: 509.1 °C at 760 mmHg; (19)Vapour Pressure: 9.65E-12 mmHg at 25°C.

Preparation: this chemical can be prepared by L-glutamine and di(tert-butyl) carbonate. This reaction will need solvent 2-methyl-propan-2-ol and H₂O. The reaction need other condition of PH 9.5-10.0.

Uses of Boc-Gln-OH: it can be used to produce Boc-Gln-OPyCl at temperature of 4 °C. This reaction will need reagent DCC and solvent dimethylformamide. The yield is about 60%.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)(C)OC(=O)NC(CCC(=O)N)C(=O)O
(2)Isomeric SMILES: CC(C)(C)OC(=O)N[C@@H](CCC(=O)N)C(=O)O
(3)InChI: InChI=1S/C10H18N2O5/c1-10(2,3)17-9(16)12-6(8(14)15)4-5-7(11)13/h6H,4-5H2,1-3H3,(H2,11,13)(H,12,16)(H,14,15)/t6-/m0/s1
(4)InChIKey: VVNYDCGZZSTUBC-LURJTMIESA-N