The IUPAC name of 4-Phthalimidobutyric acid is 4-(1,3-dioxoisoindol-2-yl)butanoic acid. With the CAS registry number 3130-75-4, it is also named as 1,3-Dihydro-1,3-dioxo-2H-isoindole-2-butanoic acid. The product's classification codes are Drug / Therapeutic Agent; Reproductive Effect. In addition, its molecular formula is C₁₂H₁₁NO₄ and molecular weight is 233.22.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 1.58; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.66; (4)ACD/LogD (pH 7.4): -1.14; (5)ACD/BCF (pH 5.5): 1.12; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 20.68; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.605; (13)Molar Refractivity: 57.79 cm³; (14)Molar Volume: 167.7 cm³; (15)Surface Tension: 62.3 dyne/cm; (16)Density: 1.389 g/cm³; (17)Flash Point: 221.2 °C; (18)Melting Point: 119-121 °C; (19)Enthalpy of Vaporization: 73.72 kJ/mol; (20)Boiling Point: 442.1 °C at 760 mmHg; (21)Vapour Pressure: 1.36E-08 mmHg at 25 °C.

Preparation of 4-Phthalimidobutyric acid: this chemical can be prepared by the reaction of Phthalic acid anhydride with 4-Amino-butyric acid.



This reaction will occur at temperature of 180 °C. The yield is 94 %.

Uses of 4-Phthalimidobutyric acid: it can be used to produce 4-Phthalimido-butyryl chloride.



This reaction needs SOCl₂. The yield is 92 %.

People can use the following data to convert to the molecule structure.
(1)SMILES: O=C2c1ccccc1C(=O)N2CCCC(=O)O
(2)InChI: InChI=1/C12H11NO4/c14-10(15)6-3-7-13-11(16)8-4-1-2-5-9(8)12(13)17/h1-2,4-5H,3,6-7H2,(H,14,15)
(3)InChIKey: HMKSXJBFBVGLJJ-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C12H11NO4/c14-10(15)6-3-7-13-11(16)8-4-1-2-5-9(8)12(13)17/h1-2,4-5H,3,6-7H2,(H,14,15)
(5)Std. InChIKey: HMKSXJBFBVGLJJ-UHFFFAOYSA-N

The toxicity data is as follows: