1,2,3,4-TETRAHYDRO-QUINOXALINE

The Quinoxaline, 1, 2, 3, 4-tetrahydro-, with the CAS registry number of 3476-89-9, is also known as Benzo(2, 3)piperazine, tetrahydro- and 1, 2, 3, 4-Tetrahydro-quinoxaline. It belongs to the product categories of Building Blocks; Heterocyclic Building Blocks; Quinoxalines. This chemical's molecular formula is C₈H₁₀N₂ and molecular weight is 134.18. What's more, its IUPAC name is 1, 2, 3, 4-Tetrahydroquinoxaline.

Physical properties about Quinoxaline, 1, 2, 3, 4-tetrahydro- are: (1)ACD/LogP: 1.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.1; (4)ACD/LogD (pH 7.4): 1.15; (5)ACD/BCF (pH 5.5): 3.92; (6)ACD/BCF (pH 7.4): 4.41; (7)ACD/KOC (pH 5.5): 89.52; (8)ACD/KOC (pH 7.4): 100.62; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 6.48 Å²; (13)Index of Refraction: 1.544; (14)Molar Refractivity: 40.51 cm³; (15)Molar Volume: 128.3 cm³; (16)Polarizability: 16.06×10^-24 cm³; (17)Surface Tension: 38.2 dyne/cm; (18)Density: 1.045 g/cm³; (19)Flash Point: 176.1 °C; (20)Enthalpy of Vaporization: 52.83 kJ/mol; (21)Boiling Point: 289 °C at 760 mmHg; (22)Vapour Pressure: 0.00226 mmHg at 25 °C; (23)Melting Point: 92-98 °C.

Preparation: this chemical is prepared by Quinoxaline. The reaction needs reagent Bis(trifluoroacetoxy)borane-THF. Meanwhile, it needs solvents Tetrahydrofuran and Trifluoroacetic acid. The reaction time is 30 minutes with reaction temperature of 0 °C. The yield is about 86 %.

 

Uses: it is used to produce other chemicals. For example, it is used to produce 1, 4-Dihydro-quinoxaline. This reaction will need reagent O₂, catalyst N, N-Ethylenebis(salicylideneiminato)cobalt(II) and solvent Ethanol. Other condition of this reaction is reaction time of 24 hours at 60 °C. The yield is about 55 %.

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 is harmful if swallowed. During using it, wear suitable protective clothing, gloves and eye/face protection. 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: c2ccc1c(NCCN1)c2
(2) InChI: InChI=1/C8H10N2/c1-2-4-8-7(3-1)9-5-6-10-8/h1-4,9-10H,5-6H2
(3) InChIKey: HORKYAIEVBUXGM-UHFFFAOYAO