N-(p-Tolylsulfonylmethyl)formamide

The N-(p-Tolylsulfonylmethyl)formamide is an organic compound with the formula C₉H₁₁NO₃S. The systematic name of this chemical is N-{[(4-methylphenyl)sulfonyl]methyl}formamide. With the CAS registry number 36635-56-0, it is also named as [(4-methylphenyl)sulfonyl]methylformamide.

Physical properties about N-(p-Tolylsulfonylmethyl)formamide are: (1)ACD/LogP: 0.62; (2)ACD/LogD (pH 5.5): 0.62; (3)ACD/LogD (pH 7.4): 0.62; (4)ACD/BCF (pH 5.5): 1.73; (5)ACD/BCF (pH 7.4): 1.73; (6)ACD/KOC (pH 5.5): 51.49; (7)ACD/KOC (pH 7.4): 51.49; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 62.83 Å²; (12)Index of Refraction: 1.54; (13)Molar Refractivity: 53.44 cm³; (14)Molar Volume: 170.1 cm³; (15)Polarizability: 21.18×10^-24cm³; (16)Surface Tension: 44.2 dyne/cm; (17)Density: 1.253 g/cm³; (18)Flash Point: 247.8 °C; (19)Enthalpy of Vaporization: 75.17 kJ/mol; (20)Boiling Point: 486.1 °C at 760 mmHg; (21)Vapour Pressure: 1.34E-09 mmHg at 25°C.

Preparation: this chemical can be prepared by formamide, p-toluenesulfinate and formaldehyde. This reaction is a kind of Condensation. This reaction will need reagent formic acid. The reaction time is 120 min with reaction temperature of 90 °C. The yield is about 90%.

Uses of N-(p-Tolylsulfonylmethyl)formamide: it can be used to produce 1-isocyanomethanesulfonyl-4-methyl-benzene. It will need reagent POCl₃, Et₃N.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(c1ccc(cc1)C)CNC=O
(2)InChI: InChI=1/C9H11NO3S/c1-8-2-4-9(5-3-8)14(12,13)7-10-6-11/h2-6H,7H2,1H3,(H,10,11)
(3)InChIKey: XEHIIYMZJQMMCF-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C9H11NO3S/c1-8-2-4-9(5-3-8)14(12,13)7-10-6-11/h2-6H,7H2,1H3,(H,10,11)
(5)Std. InChIKey: XEHIIYMZJQMMCF-UHFFFAOYSA-N