3,5-DIMETHYL-4-(2-IODOETHYL)-1H-PYRAZOLE

The 1H-Pyrazole,4-(2-iodoethyl)-3,5-dimethyl-, with the CAS registry number 83467-29-2, is also known as 3,5-Dimethyl-4-(2-iodoethyl)-1H-pyrazole. This chemical's molecular formula is C₇H₁₁IN₂ and molecular weight is 250.08. What's more, its systematic name is called 4-(2-Iodoethyl)-3,5-dimethyl-1H-pyrazole. When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes.

Physical properties about 1H-Pyrazole,4-(2-iodoethyl)-3,5-dimethyl- are: (1) ACD/LogP: 2.63; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 2.59; (4) ACD/LogD (pH 7.4): 2.62; (5) ACD/BCF (pH 5.5): 54.08; (6) ACD/BCF (pH 7.4): 58.16; (7) ACD/KOC (pH 5.5): 593; (8) ACD/KOC (pH 7.4): 637.7; (9) #H bond acceptors: 2; (10) #H bond donors: 1; (11) #Freely Rotating Bonds: 2; (12) Polar Surface Area: 17.82 Å²; (13) Index of Refraction: 1.619; (14) Molar Refractivity: 50.94 cm³; (15) Molar Volume: 145.1 cm³; (16) Surface Tension: 50.4 dyne/cm; (17) Density: 1.722 g/cm³; (18) Flash Point: 157.7 °C; (19) Enthalpy of Vaporization: 55.74 kJ/mol; (20) Boiling Point: 337.2 °C at 760 mmHg; (21) Vapour Pressure: 0.000209 mmHg at 25 °C.

Preparation of 1H-Pyrazole,4-(2-iodoethyl)-3,5-dimethyl-: this chemical can be prepared by 1,1'-Cyclopropane-1,1-diyl-bis-ethanone.

This reaction needs reagent NH₂NH₂, HI and solvent H₂O at ambient temperature. The yield is 99 %.

Uses of 1H-Pyrazole,4-(2-iodoethyl)-3,5-dimethyl-: it is used to produce other chemicals. For example, it is used to produce 2-[2-(3,5-Dimethyl-1H-pyrazol-4-yl)-ethyl]-isoindole-1,3-dione.



The reaction occurs with reagent Dimethylformamideand at temperature of 20 °C for 30 minutes. The yield is 80 %.

You can still convert the following datas into molecular structure:
(1) SMILES: ICCc1c(nnc1C)C
(2) InChI: InChI=1/C7H11IN2/c1-5-7(3-4-8)6(2)10-9-5/h3-4H2,1-2H3,(H,9,10)
(3) InChIKey: HZTPPWBWEQKLTG-UHFFFAOYAP