Benzoic acid, 3-nitro-4-propyl- (9CI) synthesis
- Product Name:Benzoic acid, 3-nitro-4-propyl- (9CI)
- CAS Number:199171-93-2
- Molecular formula:C10H11NO4
- Molecular Weight:209.2
2438-05-3
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Yield:199171-93-2 12.01 g (100%)
Reaction Conditions:
with Concentrated HNO3 in concentrated H2 SO4;
Steps:
1.A 1-Cyclopentyl-3-ethyl-1H-indazole-6-carboxylic acid methyl ester
A. 3-Nitro-4-propyl-benzoic acid. 9.44 g (57.5 mmol, 1.0 equiv) of 4-propylbenzoic acid were partially dissolved in 50 mL concentrated H2 SO4 and chilled in an ice bath. A solution of 4.7 mL (74.7 mmol, 1.3 equiv) concentrated HNO3 in 10 mL concentrated H2 SO4 was added dropwise over 1-2 min. After stirring 1 hour at 0° C., the reaction mixture was poured into a 1 L beaker half full with ice. After stirring 10 min., the white solid that formed was filtered, washed 1* H2 O, and dried to give 12.01 g (100%) of the title compound: mp 106-109° C.; IR (KBr) 3200-3400, 2966, 2875, 2667, 2554, 1706, 1618, 1537, 1299, 921 cm-1; 1 H NMR (300 MHz, DMSO-d6) δ 0.90 (t, 3H J=7.4 Hz), 1.59 (m, 2H), 2.82 (m, 2H), 7.63 (d, 1H, J=8.0 Hz), 8.12 (dd, 1H, J=1.7, 8.0 Hz), 8.33 (d, 1H, J=1.7 Hz); 13 C NMR (75.5 MHz, DMSO-d6) δ 14.2, 23.7, 34.2, 125.4, 130.5, 132.9, 133.6, 141.4, 149.5, 165.9; Anal. calcd for C10 H11 NO4.1/4H2 O: C, 56.20; H, 5.42; N, 6.55. Found: C, 56.12; H, 5.31; N, 6.81.
References:
US6040329,2000,A
2932-65-2
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103-65-1
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