1-(4-METHYLPHENYL)-1 H-PYRROLE

The 1H-Pyrrole,1-(4-methylphenyl)-, with the CAS registry number 827-60-1, is also known as 1-(4-Methylphenyl)-1H-pyrrole. It belongs to the product categories of Building Blocks; Heterocyclic Building Blocks; Pyrroles. This chemical's molecular formula is C₁₁H₁₁N and molecular weight is 157.21. What's more, its IUPAC name is called 1-(4-Methylphenyl)pyrrole. You should kept it avoiding light and ventilated in a dry place.

Physical properties about 1H-Pyrrole,1-(4-methylphenyl)- are: (1) ACD/LogP: 3.54; (2) # of Rule of 5 Violations: 0; (3) #H bond acceptors: 1; (4) #H bond donors: 0; (5) #Freely Rotating Bonds: 1; (6) Polar Surface Area: 4.93 Å²; (7) Index of Refraction: 1.552; (8) Molar Refractivity: 51.91 cm³; (9) Molar Volume: 162.4 cm³; (10) Surface Tension: 35.3 dyne/cm; (11) Density: 0.96 g/cm³; (12) Flash Point: 105.1 °C; (13) Enthalpy of Vaporization: 46.77 kJ/mol; (14) Boiling Point: 250.2 °C at 760 mmHg; (15) Vapour Pressure: 0.0348 mmHg at 25 °C; (16) Melting Point: 82-84 °C.

Preparation of 1H-Pyrrole,1-(4-methylphenyl)-: this chemical can be prepared by 2,5-Dimethoxy-tetrahydro-furan with 4-Methyl-aniline.

The reaction occurs with reagent Glacial acetic acid and other condition of heating for 2 hours. The yield is 69 %.

Uses of 1H-Pyrrole,1-(4-methylphenyl)-: it is used to produce other chemicals. For example, it is used to produce 1-p-Tolyl-2-trifluoromethyl-1H-pyrrole.

This reaction needs reagent Pyridine and solvent Acetonitrile and other condition of irradiation. The reaction time is 18 hours. The yield is 60 %.

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. And in case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: c1(ccc(cc1)n2cccc2)C
(2) InChI: InChI=1/C11H11N/c1-10-4-6-11(7-5-10)12-8-2-3-9-12/h2-9H,1H3
(3) InChIKey: VYUNLDVEMSMJNP-UHFFFAOYAD