P-AMINOPHENYL BETA-D-GLUCOPYRANOSIDE

The β-D-Glucopyranoside, 4-aminophenyl, with the CAS registry number 20818-25-1, is also known as 4-Aminophenyl beta-D-glucopyranoside. It belongs to the product categories of Carbohydrates; Carbohydrates A to; Carbohydrates A-CBiochemicals and Reagents; Monosaccharide. This chemical's molecular formula is C₁₂H₁₇NO₆ and molecular weight is 271.27. What's more, its IUPAC name is called (2S,3R,4S,5S,6R)-2-(4-Aminophenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol.

Physical properties about β-D-Glucopyranoside, 4-aminophenyl are: (1) ACD/LogP: -1.85; (2) # of Rule of 5 Violations: 1; (3) ACD/LogD (pH 5.5): -1.93; (4) ACD/LogD (pH 7.4): -1.85; (5) ACD/BCF (pH 5.5): 1; (6) ACD/BCF (pH 7.4): 1; (7) ACD/KOC (pH 5.5): 1.96; (8) ACD/KOC (pH 7.4): 2.34; (9)#H bond acceptors: 7; (10) #H bond donors: 6; (11) #Freely Rotating Bonds: 8; (12) Polar Surface Area: 58.62 Å²; (13) Index of Refraction: 1.662; (14) Molar Refractivity: 66.19 cm³; (15) Molar Volume: 178.7 cm³; (16) Surface Tension: 73.2 dyne/cm; (17) Density: 1.517 g/cm³; (18) Flash Point: 290 °C; (19) Enthalpy of Vaporization: 88.1 kJ/mol; (20) Boiling Point: 555.9 °C at 760 mmHg; (21) Vapour Pressure: 3.43E-13 mmHg at 25 °C.

Preparation of β-D-Glucopyranoside, 4-aminophenyl: this chemical can be prepared by (4-Nitro-phenyl)b-D-glucopyranoside.
 

This reaction needs reagent Platinum, Ethanol and other condition of hydrogenation.

Uses of β-D-Glucopyranoside, 4-aminophenyl: it is used to produce other chemicals. For example, it is used to produce N-[4-(3,4,5-Trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-phenyl]-acrylamide.

The reaction occurs with reagent Et₃N and solvent Methanol at temperature of 0 °C. The yield is 95 %.

You can still convert the following datas into molecular structure:
(1) SMILES: O(c1ccc(N)cc1)[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CO
(2) InChI: InChI=1/C12H17NO6/c13-6-1-3-7(4-2-6)18-12-11(17)10(16)9(15)8(5-14)19-12/h1-4,8-12,14-17H,5,13H2/t8-,9-,10+,11-,12-/m1/s1
(3) InChIKey: MIAKOEWBCMPCQR-RMPHRYRLBT