| Identification | Back Directory | [Name]
Methyl 3-aMino-2,4-diMethylbenzoate | [CAS]
24812-89-3 | [Synonyms]
Methyl 3-aMino-2,4-diMethylbenzoate
3-Amino-2,4-dimethyl-benzoic acid methyl ester
Benzoic acid, 3-aMino-2,4-diMethyl-, Methyl ester | [Molecular Formula]
C10H13NO2 | [MDL Number]
MFCD22494937 | [MOL File]
24812-89-3.mol | [Molecular Weight]
179.22 |
| Chemical Properties | Back Directory | [Boiling point ]
299.7±35.0 °C(Predicted) | [density ]
1.105±0.06 g/cm3(Predicted) | [storage temp. ]
under inert gas (nitrogen or Argon) at 2–8 °C | [pka]
3.16±0.10(Predicted) | [Appearance]
Colorless to light yellow Liquid |
| Hazard Information | Back Directory | [Synthesis]
Scheme 4, Step C: Methyl 2,4-dimethyl-3-nitrobenzoate (37 g, 176.9 mmol) was dissolved in methanol (370 mL) and 10% palladium/carbon (50% wet, 5.6 g) was added. Hydrogen was bubbled into the reaction mixture under hydrogen atmosphere and the reaction was continued for 6 days. Upon completion of the reaction, the mixture was filtered through diatomaceous earth and the filtrate was concentrated to dryness under reduced pressure. The resulting residue was purified by fast column chromatography (silica gel, eluent: hexane solution of 20% ethyl acetate) to afford methyl 3-amino-2,4-dimethylbenzoate as a yellow oil (20.5 g, 65% yield). Mass spectrum (m/z): 180.1 (M + 1). 1H NMR (300.16 MHz, DMSO-d6): δ 6.89 (s, 2H), 4.78 (s, 2H), 3.76 (s, 3H), 2.23 (s, 3H), 2.12 (s, 3H). | [References]
[1] Patent: WO2014/4230, 2014, A1. Location in patent: Page/Page column 17; 18
[2] Patent: WO2015/94912, 2015, A1. Location in patent: Page/Page column 9-10
[3] Bioorganic and Medicinal Chemistry Letters, 2016, vol. 26, # 1, p. 105 - 109 |
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