3-PHTHALIMIDOPROPIONIC ACID

The 3-Phthalimidopropionic acid, with CAS registry number 3339-73-9, has the systematic name of 3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoic acid. This chemical is a kind of white crystalline powder. What's more, this chemical should be stored in cool, dry place, and you should keep containers tightly sealed.

Physical properties of 3-Phthalimidopropionic acid: (1)ACD/LogP: 1.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.13; (4)ACD/LogD (pH 7.4): -1.65; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 7.75; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 63.68 Å²; (13)Index of Refraction: 1.62; (14)Molar Refractivity: 53.16 cm³; (15)Molar Volume: 151.2 cm³; (16)Polarizability: 21.07×10^-24cm³; (17)Surface Tension: 66.1 dyne/cm; (18)Enthalpy of Vaporization: 71.44 kJ/mol; (19)Vapour Pressure: 6.36E-08 mmHg at 25°C.

Preparation: this chemical can be prepared by b-alanine and phthalic acid anhydride. This reaction will need reagent Et₃N and solvent toluene. The reaction time is 2 hour(s). The yield is about 91%.

Uses of 3-Phthalimidopropionic acid: it can be used to produce N,N-phthaloyl-b-alanyl chloride. This reaction will need reagent SOCl₂. The reaction time is 1 hour(s).

When you are using this chemical, please be cautious about it as the following:
The 3-Phthalimidopropionic acid irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2c1ccccc1C(=O)N2CCC(=O)O
(2)InChI: InChI=1/C11H9NO4/c13-9(14)5-6-12-10(15)7-3-1-2-4-8(7)11(12)16/h1-4H,5-6H2,(H,13,14)
(3)InChIKey: DXXHRZUOTPMGEH-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C11H9NO4/c13-9(14)5-6-12-10(15)7-3-1-2-4-8(7)11(12)16/h1-4H,5-6H2,(H,13,14)
(5)Std. InChIKey: DXXHRZUOTPMGEH-UHFFFAOYSA-N