ETHYL 4-FORMYL-3,5-DIMETHYL-1H-PYRROLE-2-CARBOXYLATE

The 1H-Pyrrole-2-carboxylicacid, 4-formyl-3, 5-dimethyl-, ethyl ester, with the CAS registry number of 2199-64-6, is also known as Ethyl 3, 5-dimethyl-4-formylpyrrole-2-carboxylate. This chemical's molecular formula is C₁₀H₁₃NO₃ and molecular weight is 195.22. What's more, its IUPAC name is Ethyl 4-formyl-3, 5-dimethyl-1H-pyrrole-2-carboxylate. When you are using this chemical, please be cautious that it may cause inflammation to the skin or other mucous membranes. 

Physical properties about 1H-Pyrrole-2-carboxylicacid, 4-formyl-3, 5-dimethyl-, ethyl ester are: (1)ACD/LogP: 2.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.35; (4)ACD/LogD (pH 7.4): 2.35; (5)ACD/BCF (pH 5.5): 36.03; (6)ACD/BCF (pH 7.4): 36.03; (7)ACD/KOC (pH 5.5): 452.75; (8)ACD/KOC (pH 7.4): 452.75; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 48.3 Å²; (13)Index of Refraction: 1.556; (14)Molar Refractivity: 53.49 cm³; (15)Molar Volume: 166.3 cm³; (16)Polarizability: 21.2×10^-24 cm³; (17)Surface Tension: 45.3 dyne/cm; (18)Density: 1.173 g/cm³; (19)Flash Point: 164.1 °C; (20)Enthalpy of Vaporization: 59.21 kJ/mol; (21)Boiling Point: 347.8 °C at 760 mmHg; (22)Vapour Pressure: 5.25E-05 mmHg at 25 °C.

Uses of 1H-Pyrrole-2-carboxylicacid, 4-formyl-3, 5-dimethyl-, ethyl ester: it is used to produce other chemicals. For example, it is used to produce 4, 5-Diformyl-3-methyl-1H-pyrrole-2-carboxylic acid ethyl ester. The reaction needs reagent Aeric ammonium nitrate. Meanwhile, it needs solvents Acetic acid and H₂O. What's more, the reaction time is 3 hours by heating. The yield is about 55%.

You can still convert the following data into molecular structure:
(1) SMILES: O=C(OCC)c1c(c(C=O)c(n1)C)C
(2) InChI: InChI=1/C10H13NO3/c1-4-14-10(13)9-6(2)8(5-12)7(3)11-9/h5,11H,4H2,1-3H3
(3) InChIKey: CLJUICOFPKFFGJ-UHFFFAOYAO