2,2-Dipropylmalonic acid

The 2,2-Dipropylmalonic acid with CAS registry number of 1636-27-7 is also known as Propanedioic acid,2,2-dipropyl-. The IUPAC name is 2,2-Dipropylpropanedioic acid. It belongs to product categories of Pharmaceutical Intermediates. Its EINECS registry number is 216-664-1. In addition, the formula is C₉H₁₆O₄ and the molecular weight is 188.22. Besides, it is used as intermediate for the anti-epileptic drugs.

Physical properties about 2,2-Dipropylmalonic acid are: (1)ACD/LogP: 2.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.01; (4)ACD/LogD (pH 7.4): -1.69; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Index of Refraction: 1.474; (13)Molar Refractivity: 46.83 cm³; (14)Molar Volume: 166.3 cm³; (15)Surface Tension: 44.1 dyne/cm; (16)Density: 1.131 g/cm³; (17)Flash Point: 177.1 °C; (18)Enthalpy of Vaporization: 64.82 kJ/mol; (19)Boiling Point: 345.8 °C at 760 mmHg; (20)Vapour Pressure: 1.07E-05 mmHg at 25 °C.

Preparation of 2,2-Dipropylmalonic acid: it is prepared by hydrolysis reaction of diethyl dipropyl. Mixing diethyl dipropyl, ethanol and potassium hydroxide solution with the relative density of 1.4 by stirring. The reaction mixture is refluxed for 4 hours. Then product is obtained by filtration and drying after recovery of ethanol. The yield is about 80%.

When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes, respiratory system and skin. During using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1. Canonical SMILES: CCCC(CCC)(C(=O)O)C(=O)O
2. InChI: InChI=1S/C9H16O4/c1-3-5-9(6-4-2,7(10)11)8(12)13/h3-6H2,1-2H3,(H,10,11)(H,12,13)
3. InChIKey: DIRSQLKNZQKDBK-UHFFFAOYSA-N