N-(5-BROMOPENTYL)PHTHALIMIDE

The 1H-Isoindole-1,3(2H)-dione,2-(5-bromopentyl)- is an organic compound with the formula C₁₃H₁₄BrNO₂. The IUPAC name of this chemical is 2-(5-bromopentyl)isoindole-1,3-dione. With the CAS registry number 954-81-4, it is also named as N-(5-Bromopentyl)phthalimide. The product's category is Heterocycles. Additionally, this chemical is stable under normal temperature and pressure and should be sealed in the container and stored in the cool and dry place.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 3.54; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.54; (4)ACD/LogD (pH 7.4): 3.54; (5)ACD/BCF (pH 5.5): 289.94; (6)ACD/BCF (pH 7.4): 289.94; (7)ACD/KOC (pH 5.5): 2014.33; (8)ACD/KOC (pH 7.4): 2014.33; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Index of Refraction: 1.591; (13)Molar Refractivity: 68.6 cm³; (14)Molar Volume: 202.8 cm³; (15)Polarizability: 27.19×10^-24 cm³; (16)Surface Tension: 51 dyne/cm; (17)Enthalpy of Vaporization: 64.29 kJ/mol; (18)Vapour Pressure: 2.18E-06 mmHg at 25°C; (19)Rotatable Bond Count: 5; (20)Exact Mass: 295.020791; (21)MonoIsotopic Mass: 295.020791; (22)Topological Polar Surface Area: 37.4; (23)Heavy Atom Count: 17; (24)Complexity: 282.

Preparation of 1H-Isoindole-1,3(2H)-dione,2-(5-bromopentyl)-: It can be obtained by phthalimide and 1,5-dibromo-pentane. This reaction needs reagent K₂CO₃ and solvent dimethylformamide at ambient temperature. The reaction time is 3 days. The yield is 80%. 

Uses of 1H-Isoindole-1,3(2H)-dione,2-(5-bromopentyl)-: It can react with 6-phenyl-2H-pyridazin-3-one to get 2-[5-(6-oxo-3-phenyl-6H-pyridazin-1-yl)-pentyl]-isoindole-1,3-dione. This reaction needs reagents tetra-n-butylammonium bromide, potassium hydroxyde and solvent benzene at ambient temperature. The reaction time is 6 hours. The yield is 88%.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing, gloves and eye/face protection.

People can use the following data to convert to the molecule structure.
1. SMILES:O=C2c1ccccc1C(=O)N2CCCCCBr
2. InChI:InChI=1/C13H14BrNO2/c14-8-4-1-5-9-15-12(16)10-6-2-3-7-11(10)13(15)17/h2-3,6-7H,1,4-5,8-9H2 
3. InChIKey:QKVHAKICMNABGB-UHFFFAOYAA
4. Std. InChI:InChI=1S/C13H14BrNO2/c14-8-4-1-5-9-15-12(16)10-6-2-3-7-11(10)13(15)17/h2-3,6-7H,1,4-5,8-9H2
5. Std. InChIKey:QKVHAKICMNABGB-UHFFFAOYSA-N