DI-TERT-BUTYL HYDRAZODICARBOXYLATE

The Di-tert-butyl hydrazodiformate, with the CAS registry number 16466-61-8, is also known as N,N'-Di-tert-butoxycarbonylhydrazine. Its EINECS registry number is 240-512-3. This chemical's molecular formula is C₁₀H₂₀N₂O₄ and molecular weight is 232.28. Its IUPAC name is called tert-butyl N-[(2-methylpropan-2-yl)oxycarbonylamino]carbamate.

Physical properties of Di-tert-butyl hydrazodiformate: (1)ACD/LogP: 1.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.14; (4)ACD/LogD (pH 7.4): 1.34; (5)ACD/BCF (pH 5.5): 3.91; (6)ACD/BCF (pH 7.4): 6.12; (7)ACD/KOC (pH 5.5): 81.14; (8)ACD/KOC (pH 7.4): 126.98; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.634; (13)Molar Refractivity: 40.7 cm³; (14)Molar Volume: 113.7 cm³; (15)Surface Tension: 51.8 dyne/cm; (16)Density: 1.196 g/cm³; (17)Melting Point: 123-126 °C (dec.)(lit.); (18)Flash Point: 124.2 °C ; (19)Enthalpy of Vaporization: 52.05 kJ/mol; (20)Boiling Point: 281.7 °C at 760 mmHg; (21)Vapour Pressure: 0.00351 mmHg at 25°C.

Preparation: this chemical can be prepared by di-tert-butyl dicarbonate. This reaction will need reagent H₂NNH₂ and solvent methanol. The reaction temperature is 20 ℃. The yield is about 96%.

Uses of Di-tert-butyl hydrazodiformate: it can be used to produce 5,8-dihydro-1H,4H-pyridazino[4,5-d]pyridazine-2,3,6,7-tetracarboxylic acid tetra-tert-butyl ester. This reaction will need reagent sodium hydride.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)(C)OC(=O)NNC(=O)OC(C)(C)C
(2)InChI: InChI=1S/C10H20N2O4/c1-9(2,3)15-7(13)11-12-8(14)16-10(4,5)6/h1-6H3,(H,11,13)(H,12,14)
(3)InChIKey: TYSZETYVESRFNT-UHFFFAOYSA-N