1,4-Cyclohexanedicarboxylicacid, 2,5-dioxo-, 1,4-dimethyl ester (6289-46-9)

The IUPAC name of Dimethyl succinylo succinate is dimethyl 2,5-dioxocyclohexane-1,4-dicarboxylate. With the CAS registry number 6289-46-9, it is also named as Succinosuccinic acid, dimethyl ester. The product's categorie is pharmaceutical intermediates. It is white to light yellow-green fine crystalline powder.

The other characteristics of this product can be summarized as: (1)ACD/LogP: -0.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.23; (4)ACD/LogD (pH 7.4): -0.24; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 17.87; (8)ACD/KOC (pH 7.4): 17.47; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.482; (13)Molar Refractivity: 49.83 cm³; (14)Molar Volume: 174.6 cm³; (15)Polarizability: 19.75×10^-24 cm³; (16)Surface Tension: 47.3 dyne/cm; (17)Enthalpy of Vaporization: 59.51 kJ/mol; (18)Vapour Pressure: 4.38E-05 mmHg at 25°C; (19)Rotatable Bond Count: 4; (20)Tautomer Count: 15; (21)Exact Mass: 228.063388; (22)MonoIsotopic Mass: 228.063388; (23)Topological Polar Surface Area: 86.7; (24)Heavy Atom Count: 16; (25)Complexity: 311.

Preparation of Dimethyl succinylo succinate: It can be obtained by succinic acid dimethyl ester. This reaction needs reagent sodium methylate
dioxane.

Uses of Dimethyl succinylo succinate: It is used in the production of pigments such as Pigment Red 122 and Pigment Violet 19. It also can react with 2,4-diamino-phenol to get 2,5-bis-(3-amino-4-hydroxy-phenylamino)-cyclohexa-1,4-diene-1,4-dicarboxylic acid dimethyl ester. This reaction needs reagent N-ethylpiperidine at temperature of 105 °C. The reaction time is 7 hours. The yield is 80%.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin, so people should avoid contact with skin and eyes. 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 gloves and eye/face protection.

People can use the following data to convert to the molecule structure.
1. SMILES:O=C(OC)C1C(=O)CC(C(=O)C1)C(=O)OC
2. InChI:InChI=1/C10H12O6/c1-15-9(13)5-3-8(12)6(4-7(5)11)10(14)16-2/h5-6H,3-4H2,1-2H3 
3. InChIKey:MHKKFFHWMKEBDW-UHFFFAOYAT