1-METHYL-2-(TRIBUTYLSTANNYL)-1H-PYRROLE

The 1H-Pyrrole,1-methyl-2-(tributylstannyl)-, with the CAS registry number 118486-97-8, is also known as 2-(Tributylstannyl)-1-methylpyrrole. It belongs to the product categories of Organostannes; Pyrrole; Tributylstanny. This chemical's molecular formula is C₁₇H₃₃NSn and molecular weight is 370.1606. What's more, its systematic name is called 1-Methyl-2-(tributylstannanyl)-1H-pyrrole.

Physical properties about this chemical are: (1)ACD/LogP: 9.01; (2)#of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 9.01; (4)ACD/LogD (pH 7.4): 9.01; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 1904484.88; (8)ACD/KOC (pH 7.4): 1904484.88; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 4.93 Å²; (13)Flash Point: 181.4 °C; (14)Enthalpy of Vaporization: 59.94 kJ/mol; (15)Boiling Point: 376.3 °C at 760 mmHg; (16)Vapour Pressure: 1.59E-05 mmHg at 25 °C.

Uses of 1H-Pyrrole,1-methyl-2-(tributylstannyl)-: it is used to produce other chemicals. For example, it is used to produce 4-(1-Methylpyrrol-2-yl)furan-2(5H)-one.

The reaction needs reagent (PPh₃)₂PdCl₂ and solvent Acetonitrile. This reaction will occur at temperature of 50 °C for 48 hours. The yield is 99 %.

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes and skin. It is harmful (it will bring serious damage to health by prolonged exposure through inhalation and swallowed) if in contact with skin and it is toxic (it is very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment) if swallowed. Therefore, you should wear suitable protective clothing, gloves. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice. If contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer). This material and its container must be disposed of as hazardous waste. This chemical should avoid release to the environment. Refer to special instructions/safety data sheet.

You can still convert the following datas into molecular structure:
(1) SMILES: c1ccc(n1C)[Sn](CCCC)(CCCC)CCCC
(2) InChI: InChI=1/C5H6N.3C4H9.Sn/c1-6-4-2-3-5-6;3*1-3-4-2;/h2-4H,1H3;3*1,3-4H2,2H3;/rC17H33NSn/c1-5-8-14-19(15-9-6-2,16-10-7-3)17-12-11-13-18(17)4/h11-13H,5-10,14-16H2,1-4H3
(3) InChIKey: DINAKCGOEKXDTP-YTSGOHHQAW