BIS(TRIMETHYLSILYL)ACETYLENEDICARBOXYLATE

The 2-Butynedioic acid, 1, 4-bis(trimethylsilyl) ester, with the CAS registry number 76734-92-4, is also known as Bis(trimethylsilyl)acetylenedicarboxylate. This chemical's molecular formula is C₁₀H₁₈O₄Si₂ and molecular weight is 258.42. What's more, its systematic name is Bis(trimethylsilyl) but-2-ynedioate. In addition, it must be stored at 2-8 °C.

Physical properties about 2-Butynedioic acid, 1, 4-bis(trimethylsilyl) ester are: (1)ACD/LogP: 4.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.17; (4)ACD/LogD (pH 7.4): 4.17; (5)ACD/BCF (pH 5.5): 869.4; (6)ACD/BCF (pH 7.4): 869.4; (7)ACD/KOC (pH 5.5): 4420.74; (8)ACD/KOC (pH 7.4): 4420.74; (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: 1.44; (14)Molar Refractivity: 67.36 cm³; (15)Molar Volume: 255.3 cm³; (16)Polarizability: 26.7×10^-24 cm³; (17)Surface Tension: 25.8 dyne/cm; (18)Density: 1.012 g/cm³; (19)Flash Point: 87.9 °C; (20)Enthalpy of Vaporization: 48.85 kJ/mol; (21)Boiling Point: 251.2 °C at 760 mmHg; (22)Vapour Pressure: 0.0207 mmHg at 25 °C.

Preparation of 2-Butynedioic acid, 1, 4-bis(trimethylsilyl) ester: this chemical is prepared by reaction of Chloro-trimethyl-silane with Acetylenedicarboxylic acid monotrimethylsilyl ester. The reaction needs solvent 1, 2-Dichloro-ethane. The reaction time is 48 hours with reaction temperature of 60 °C. The yield is about 90 %.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, this chemical may cause inflammation to the skin or other mucous membranes. 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) SMILES: O=C(C#CC(=O)O[Si](C)(C)C)O[Si](C)(C)C
(2) InChI: InChI=1/C10H18O4Si2/c1-15(2,3)13-9(11)7-8-10(12)14-16(4,5)6/h1-6H3
(3) InChIKey: RYHMNBZWRLSKHY-UHFFFAOYAF