DI-TERT-BUTYL OXALATE

The Ethanedioicacid, 1,2-bis(1,1-dimethylethyl) ester, with the CAS registry number 691-64-5, is also known as Oxalic acid, di-tert-butyl ester(7CI,8CI). It belongs to the product categories of C10 to C11Alphabetic; Carbonyl Compounds; D; DIA - DIC; Esters. Its EINECS registry number is 211-723-8. This chemical's molecular formula is C₁₀H₁₈O₄ and molecular weight is 202.2475. What's more, its IUPAC name is Ditert-butyl oxalate. 

Physical properties about Ethanedioicacid, 1,2-bis(1,1-dimethylethyl) ester are: (1)ACD/LogP: 2.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.12; (4)ACD/LogD (pH 7.4): 2.12; (5)ACD/BCF (pH 5.5): 24.06; (6)ACD/BCF (pH 7.4): 24.06; (7)ACD/KOC (pH 5.5): 339.12; (8)ACD/KOC (pH 7.4): 339.12; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 52.6 Å²; (13)Index of Refraction: 1.43; (14)Molar Refractivity: 51.85 cm³; (15)Molar Volume: 200.6 cm³; (16)Polarizability: 20.55×10^-24 cm³; (17)Surface Tension: 30 dyne/cm; (18)Density: 1.007 g/cm³; (19)Flash Point: 90 °C; (20)Enthalpy of Vaporization: 46.59 kJ/mol; (21)Boiling Point: 229.3 °C at 760 mmHg; (22)Vapour Pressure: 0.07 mmHg at 25 °C.

Preparation of Ethanedioicacid, 1,2-bis(1,1-dimethylethyl) ester: this chemical is prepared by 1,2-di-tert-butoxy-ethyne. This reaction needs reagent O₃ and solvent CH₂Cl₂ at temperature of -110 °C. The reaction time is 5 min. The yield is 100 %. And the reaction equation is as followed:

Use of Ethanedioicacid, 1,2-bis(1,1-dimethylethyl) ester: it is used to produce other chemicals. For example, it is used to produce Fluoro-oxalacetic acid di-tert-butyl ester. The reaction occurs with reagents potassium, t-butyl alcohol by heating for 3 hours. The yield is 83 %. And the reaction equation is as followed:

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes and skin. Therefore, you should wear suitable protective clothing. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC(C)(C)C)C(=O)OC(C)(C)C
(2) InChI: InChI=1/C10H18O4/c1-9(2,3)13-7(11)8(12)14-10(4,5)6/h1-6H3
(3) InChIKey: CIYGMWIAXRMHQS-UHFFFAOYAM