Boc-Phe-Ser-Ome

The Boc-Phe-Ser-Ome, with the CAS registry number of 34290-59-0, is also known as Methyl N-(tert-Butoxycarbonyl)phenylalanylserinate and tert-Butyloxycarbonyl-L-phenylalanyl-L-serine methyl ester. This chemical's molecular formula is C₁₈H₂₆N₂O₆ and molecular weight is 366.41. What's more, its IUPAC name is Methyl 3-hydroxy-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]propanoate.

Physical properties about Boc-Phe-Ser-Ome are: (1)ACD/LogP: 2.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.12; (4)ACD/LogD (pH 7.4): 2.12; (5)ACD/BCF (pH 5.5): 24.12; (6)ACD/BCF (pH 7.4): 24.12; (7)ACD/KOC (pH 5.5): 339.77; (8)ACD/KOC (pH 7.4): 339.67; (9)#H bond acceptors: 8; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 11; (12)Polar Surface Area: 85.38 Å²; (13)Index of Refraction: 1.525; (14)Molar Refractivity: 94.31 cm³; (15)Molar Volume: 307.3 cm³; (16)Surface Tension: 45.6 dyne/cm; (17)Density: 1.192 g/cm³; (18)Flash Point: 315.7 °C; (19)Enthalpy of Vaporization: 93.7 kJ/mol; (20)Boiling Point: 598.3 °C at 760 mmHg; (21)Vapour Pressure: 3.65E-15 mmHg at 25 °C.

Preparation: this chemical is prepared by reaction of L-Serine methyl ester with N-tert-Btoxycarbonyl-L-phenylalanine at ambient temperature. This reaction needs reagents DCC and HOBt. Meanwhile, it needs solvent CH₂Cl₂. The yield is about 87 %.

Uses: it is used to produce other chemicals. For example, it is used to produce t-Butyloxycarbonyl-Phe-Ser-NHNH₂ at ambient temperature. The reaction needs reagent 80 % Hydrazine hydrate. The yield is about 54 %.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC)C(NC(=O)C(NC(=O)OC(C)(C)C)Cc1ccccc1)CO
(2) InChI: InChI=1/C18H26N2O6/c1-18(2,3)26-17(24)20-13(10-12-8-6-5-7-9-12)15(22)19-14(11-21)16(23)25-4/h5-9,13-14,21H,10-11H2,1-4H3,(H,19,22)(H,20,24)
(3) InChIKey: TXPSDTDXSCHBJF-UHFFFAOYAK