Ethylpyrazine

The CAS register number of Pyrazine, 2-ethyl- is 13925-00-3. It also can be called as 2-Ethyl-1,4-diazine and the IUPAC name about this chemical is 2-ethylpyrazine. The molecular formula about this chemical is C₆H₈N₂ and the molecular weight is 108.14. It belongs to the following product categories, such as Pyrazines; Mono- & Polyalkylpyrazines; Pyrazine Flavor; Building Blocks; Heterocyclic Building Blocks and so on. This chemical can be used in soft drinks, candy, meat, dairy products. This chemical is unstable under normal temperature and pressure. If you want to store it, please keep it in a closed container and awy from light, you also need avoid contact with  oxidize acid. This chemical is flammable.  When you are using it, please keep away from sources of ignition.

Physical properties about Pyrazine, 2-ethyl- are: (1)ACD/LogP: 0.71; (2)ACD/LogD (pH 5.5): 0.71; (3)ACD/LogD (pH 7.4): 0.71; (4)ACD/BCF (pH 5.5): 2.05; (5)ACD/BCF (pH 7.4): 2.05; (6)ACD/KOC (pH 5.5): 58.12; (7)ACD/KOC (pH 7.4): 58.13; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 25.78Ų; (11)Index of Refraction: 1.5; (12)Molar Refractivity: 31.98 cm³; (13)Molar Volume: 108.6 cm³; (14)Polarizability: 12.67x10^-24cm³; (15)Surface Tension: 39.3 dyne/cm; (16)Enthalpy of Vaporization: 37.55 kJ/mol; (17)Boiling Point: 154.9 °C at 760 mmHg; (18)Vapour Pressure: 4.01 mmHg at 25°C.

Preparation: this chemical can be prepared by 1-(2-amino-ethylamino)-propan-2-ol, this reaction also can produce methyl-pyrazine. This reaction will need reagent H₂ and catalyst CuO(5percent)-ZnO-Al₂O₃ (9:1 ZnO:Al₂O₃). The reaction temperature is 350 ℃. The yield is about 79.4%.

Uses of Pyrazine, 2-ethyl-: it can be used to produce 6-(4-chloro-phenyl)-7-methyl-5H-pyrrolo[2,3-b]pyrazine with 4-chloro-benzonitrile at temperature of -40//-40 - 20 ℃. This reaction will need reagent LDA and solvent tetrahydrofuran, tetrahydrofuran with reaction time of 30 min. The yield is about 44%. The reaction steps is 2.

You can still convert the following datas into molecular structure:
(1)SMILES: n1ccnc(c1)CC
(2)InChI: InChI=1/C6H8N2/c1-2-6-5-7-3-4-8-6/h3-5H,2H2,1H3
(3)InChIKey: KVFIJIWMDBAGDP-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C6H8N2/c1-2-6-5-7-3-4-8-6/h3-5H,2H2,1H3
(5)Std. InChIKey: KVFIJIWMDBAGDP-UHFFFAOYSA-N