Methyl 5-nitro-2-methylbenzoate

Bezeichnung:Methyl 5-nitro-2-methylbenzoate

CAS-Nr77324-87-9

Englisch Name:Methyl 5-nitro-2-methylbenzoate

CBNumberCB9855131

SummenformelC9H9NO4

Molgewicht195.17

MOL-Datei77324-87-9.mol

Methyl 5-nitro-2-methylbenzoate physikalisch-chemischer Eigenschaften

Schmelzpunkt	67.0 to 71.0 °C
Siedepunkt	305.4±22.0 °C(Predicted)
Dichte	1+-.0.06 g/cm3(Predicted)
storage temp.	Sealed in dry,Room Temperature
Löslichkeit	soluble in Methanol
Aggregatzustand	powder to crystal
Farbe	Light orange to Yellow to Green
CAS Datenbank	77324-87-9(CAS DataBase Reference)

Sicherheit

HS Code

2916399090

Gefahreninformationscode (GHS)

Methyl 5-nitro-2-methylbenzoate Chemische Eigenschaften,Einsatz,Produktion Methoden

Chemische Eigenschaften
White crystalline powder
Verwenden
Methyl 5-nitro-2-methylbenzoate reacts as a reagent with 5-(4-(bis(4-methoxyphenyl)amino)phenyl)thiophene-2-carbaldehyde to synthesise intermediates for photosensitisers such as TTVBO [6]. It is also used as an electrolyte additive for dual-interface modification of the cathode CEI and the anode SEI [7].
Synthese

1975-52-6

74-88-4

77324-87-9

4.2.1 Synthesis of methyl 2-methyl-5-nitrobenzoate (2): 2-methyl-5-nitrobenzoic acid (15 g, 82.8 mmol) and potassium carbonate (K2CO3, 17.2 g, 124.2 mmol) were suspended in N,N-dimethylformamide (DMF, 75 mL) in a dry round-bottom flask. To this suspension, iodomethane (6.7 mL) was slowly added dropwise at room temperature. The reaction mixture was stirred at room temperature overnight (~12 hours). After completion of the reaction, the mixture was poured into water (500 mL) and the aqueous phase was extracted three times with ethyl acetate (EA). The organic phases were combined, dried with anhydrous sodium sulfate (Na2SO4), filtered and concentrated under reduced pressure to give methyl 2-methyl-5-nitrobenzoate (15.3 g, 94% yield) as a yellow solid. The product was confirmed by 1H NMR (400 MHz, CDCl3): δ 8.52 (s, 1H), 8.05 (s, 1H), 7.30 (s, 1H), 3.83 (s, 3H), 2.56 (s, 3H). ESI-MS analysis showed m/z 196 [M + H]+.
Einzelnachweise
[1] Journal of the American Chemical Society, 2003, vol. 125, # 40, p. 12074 - 12075
[2] Patent: US6344465, 2002, B1. Location in patent: Page column 32
[3] Bioorganic and Medicinal Chemistry, 2015, vol. 23, # 17, p. 5881 - 5890
[4] Patent: US2005/43385, 2005, A1. Location in patent: Page/Page column 14
[5] Patent: US2001/34343, 2001, A1
[6] Wang, D.-R., Ma, X.-L., Li, J.-J., Li, C.-K., Li, Q., Li, F.-Y. (2025). A novel AIE photosensitizer for combination photodynamic immunotherapy via autophagy activation and tumor microenvironment modulation. European Journal of Medicinal Chemistry, 300, 118155. https://doi.org/10.1016/j.ejmech.2025.118155
[7] Liu, P., Tang, C., Shen, H., Zhou, Y., Cao, M., Wei, T., Xue, W., Peng, X. (2026). Nitrogen-containing additive and FEC solvent synergistically modified ion transport electrolyte interfaces for high-performance NCM811 cathodes. Ionics, 32(7), 7463–7475. https://doi.org/10.1007/s11581-026-07229-0

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