tert-Butyl 2-methyl-2-(4-methylbenzoyl)propanoate

Abstract

The title compound, C16H22O3, is bent with a dihedral angle of 75.3 (1)° between the mean planes of the benzene ring and a group encompassing the ester functionality (O=C—O—C). In the crystal, the mol­ecules are linked into infinite chains held together by weak C—H⋯O hydrogen-bonded inter­actions between an H atom on the benzene ring of one mol­ecule and an O atom on the ketone functionality of an adjacent mol­ecule. The chains are arranged with neighbouring tert-butyl and dimethyl groups on adjacent chains exhibiting hydro­phobic stacking, with short C—H⋯H—C contacts (2.37 Å) between adjacent chains

tert-Butyl 2-methyl-2-(4-nitrobenzoyl)propanoate

“…The four structures studied which differ only in the substituent on the para-position of the phenyl ring of the title compound, H-, (Logue et al, 2010), CH 3 -, (Gould et al, 2010), Cl-, (Crosse et al, 2010), and NO 2 -, (this paper) are structurally very similar and there are no significant differences in the bonding distances or bond angle measurements in these four complexes. They do however display some conformational flexibility which are expressed by the slight variations of the torsion angles of the t-butyl oxopropanoate unit, listed in Table 2 (the common atom numbering used for all four atoms is given in Figure 2).…”

“…For the synthesis, spectroscopic characterization and reactivity of the title compound, see: Logue (1974); Logue et al (1975). For related structures, see: Crosse et al (2010); Gould et al (2010); Logue et al (2010). For the syntheses and characterization of structurally similar indanone-derived -keto ester derivatives, see: Alemá n et al (2007); Elsner et al (2008); Mouri et al (2009); Noritake et al (2008); Rigby & Dixon (2008); Wang et al (2006).…”

“…The title compound, C 15 H 19 N 1 O 5 , which is the final compound in a series of four (Crosse et al, 2010;Gould et al, 2010;Logue et al, 2010), is bent and has a dihedral angle between the mean planes of the phenyl ring and the ester functionality of 61.8 (2)°. The low value of the dihedral angle, 0.8 (2)°, between the mean planes for the nitro group and bonded chains rather than layers and this might also be the reason why the density at 1.228 g/cm -3 is greatest for the title compound compared to the other three molecules which range from 1.108-1.194 g/cm -3 .…”

tert-Butyl 2-benzoyl-2-methylpropanoate

“…For the synthesis, spectroscopic characterization and reactivity of the title compound, see: Logue (1974); Logue et al (1975). For related structures, see: Crosse et al (2010a,b); Gould et al (2010). For the syntheses and characterization of structurally similar indanone-derived -keto ester derivatives, see: Mouri et al (2009); Noritake et al (2008); Rigby & Dixon (2008).…”

tert-Butyl 2-(4-chlorobenzoyl)-2-methylpropanoate

“…For the synthesis, spectroscopic characterization and reactivity of the title compound, see: Logue (1974); Logue et al (1975). For related structures, see: Crosse et al (2010); Gould et al (2010); Logue et al (2010). For the syntheses and characterization of structurally similar indanone-derived -keto ester derivatives, see: Mouri et al (2009); Noritake et al (2008); Rigby & Dixon (2008).…”