N-Phthaloylglycine

The IUPAC name of N-Phthaloylglycine is 2-(1,3-dioxoisoindol-2-yl)acetic acid. With the CAS registry number 4702-13-0, it is also named as 1,3-Dioxo-2-isoindolineacetic acid. The product's categories are Miscellaneous; API intermediates; N-Substituted Maleimides, Succinimides & Phthalimides; N-Substituted Phthalimides. Besides, it is white powder, which should be sealed in a dark, ventilated and dry place at 0-6 °C. In addition, its molecular formula is C₁₀H₇NO₄ and molecular weight is 205.17.

The other characteristics of this product can be summarized as: (1)EINECS: 225-177-3; (2)ACD/LogP: 1.19; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): -0.7; (5)ACD/LogD (pH 7.4): -2.28; (6)ACD/BCF (pH 5.5): 1; (7)ACD/BCF (pH 7.4): 1; (8)ACD/KOC (pH 5.5): 1.37; (9)ACD/KOC (pH 7.4): 1; (10)#H bond acceptors: 5; (11)#H bond donors: 1; (12)#Freely Rotating Bonds: 2; (13)Index of Refraction: 1.639; (14)Molar Refractivity: 48.53 cm³; (15)Molar Volume: 134.7 cm³; (16)Surface Tension: 71.1 dyne/cm; (17)Density: 1.522 g/cm³; (18)Flash Point: 203.3 °C; (19)Melting Point: 195-198 °C; (20)Enthalpy of Vaporization: 70.14 kJ/mol; (21)Boiling Point: 412.6 °C at 760 mmHg; (22)Vapour Pressure: 1.51E-07 mmHg at 25 °C.

Preparation of N-Phthaloylglycine: this chemical can be prepared by N-(2-hydroxy-ethyl)-phthalimide.



This reaction needs aq. NaIO₄, RuCl₃*H₂O, ethyl acetate, acetonitrile at temperature of 20 °C. The reaction time is 2 hours. The yield is 95 %.

Uses of N-Phthaloylglycine: it can react with aniline to get N,N-phthaloyl-glycine anilide.



This reaction needs phenyl N-phenylphosphoramidochloridate, triethylamine, CH₂Cl₂ at ambient temperature for 30 min. The yield is 96 %.

When you are using this chemical, please be cautious about it as the following: it is irritating to eyes, respiratory system and skin. It is also harmful if swallowed. Please do not breathe dust. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. And you should wear suitable protective clothing, gloves and eye/face protection to avoid contact with skin and eyes.

People can use the following data to convert to the molecule structure.
(1)Canonical SMILES: C1=CC=C2C(=C1)C(=O)N(C2=O)CC(=O)O
(2)InChI: InChI=1S/C10H7NO4/c12-8(13)5-11-9(14)6-3-1-2-4-7(6)10(11)15/h1-4H,5H2,(H,12,13)
(3)InChIKey: WQINSVOOIJDOLJ-UHFFFAOYSA-N