DIMETHYL PIMELATE

The CAS register number of Heptanedioic acid, 1,7-dimethyl ester is 1732-08-7. It also can be called as Pimelic acid dimethyl ester and the IUPAC name about this chemical is dimethyl heptanedioate. The molecular formula about this chemical is C₉H₁₆O₄ and the molecular weight is 188.220940 g/mol. It belongs to the Pharmaceutical Intermediates. This chemical is stable under normal temperature and pressure. When you are using it, please avoid contact with skin and eyes, you also need avoid contact with oxide.

Physical properties about Heptanedioic acid, 1,7-dimethyl ester are: (1)ACD/LogP: 1.19; (2)ACD/LogD (pH 5.5): 1.19; (3)ACD/LogD (pH 7.4): 1.19; (4)ACD/BCF (pH 5.5): 4.75; (5)ACD/BCF (pH 7.4): 4.75; (6)ACD/KOC (pH 5.5): 106.11; (7)ACD/KOC (pH 7.4): 106.11; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 8; (10)Polar Surface Area: 52.6Ų; (11)Index of Refraction: 1.427; (12)Molar Refractivity: 47.29 cm³; (13)Molar Volume: 184 cm³; (14)Polarizability: 18.74x10^-24cm³; (15)Surface Tension: 32.5 dyne/cm; (16)Enthalpy of Vaporization: 48.75 kJ/mol; (17)Boiling Point: 250.3 °C at 760 mmHg; (18)Vapour Pressure: 0.0219 mmHg at 25°C.

Preparation: this chemical can be prepared by methanol and 2-bromo-cycloheptanone. This reaction is a kind of Oxidation. This reaction will need reagent cerium(IV) sulfate tetrahydrate and oxygen. The reaction time is 2 hour(s) with reaction temperature of 50 ℃. The yield is about 78%.

Uses of Heptanedioic acid, 1,7-dimethyl ester: it can be used to produce 6-diethylcarbamoyl-hexanoic acid methyl ester with Magnesium-bromid-diaethylamid. The yield is about 55%.

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