| Identification | More | [Name]
2-Methyl-5-nitroanisole | [CAS]
13120-77-9 | [Synonyms]
1-METHOXY-2-METHYL-5-NITROBENZENE
2-METHOXY-1-METHYL-4-NITRO-BENZENE
2-METHOXY-4-NITROTOLUENE
2-METHYL-4-NITROANISOLE
2-METHYL-5-NITROANISOLE
2-methoxy-1-methyl-4-nitro-benzen
methyl 5-nitro-o-tolyl ether
5-Nitro-2-MethylAnisole
2-METHYL-5-NITROANISOLE 99%
3-Methyl-4-methoxy-1-nitrobenzene
1-Methyl-2-methoxy-4-nitrobenzene | [EINECS(EC#)]
236-048-6 | [Molecular Formula]
C8H9NO3 | [MDL Number]
MFCD00043912 | [Molecular Weight]
167.16 | [MOL File]
13120-77-9.mol |
| Chemical Properties | Back Directory | [Appearance]
cream to yellow crystalline powder and chunks | [Melting point ]
69-71 °C (lit.) | [Boiling point ]
281.2±20.0 °C(Predicted) | [density ]
1.180±0.06 g/cm3(Predicted) | [storage temp. ]
Sealed in dry,Room Temperature | [solubility ]
soluble in Methanol | [form ]
powder to crystal | [color ]
White to Light yellow | [InChI]
1S/C8H9NO3/c1-6-3-4-7(9(10)11)5-8(6)12-2/h3-5H,1-2H3 | [InChIKey]
WVQGZNRUEVFXKR-UHFFFAOYSA-N | [SMILES]
COc1cc(ccc1C)[N+]([O-])=O | [CAS DataBase Reference]
13120-77-9(CAS DataBase Reference) | [EPA Substance Registry System]
13120-77-9(EPA Substance) |
| Safety Data | Back Directory | [Hazard Codes ]
Xn,Xi | [Risk Statements ]
R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S24/25:Avoid contact with skin and eyes .
S36:Wear suitable protective clothing .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . | [WGK Germany ]
3
| [Hazard Note ]
Irritant | [TSCA ]
TSCA listed | [HS Code ]
29093090 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Acute Tox. 4 Oral |
| Hazard Information | Back Directory | [Chemical Properties]
cream to yellow crystalline powder and chunks | [Synthesis]
GENERAL METHOD: Under argon protection, 2-methyl-5-nitrophenol (613 mg, 4.0 mmol) was dissolved in anhydrous DMF (7 mL) and potassium carbonate (608 mg, 4.4 mmol) and iodomethane (12.0 mmol) were added sequentially. The reaction mixture was heated with stirring at 40 °C for 2-3 hours. After completion of the reaction, the mixture was poured into water and extracted with ethyl acetate (EtOAc). The organic layers were combined, washed sequentially with water and saturated brine and dried over anhydrous magnesium sulfate (MgSO4). The solvent was removed by concentration under reduced pressure and the resulting residue was purified by silica gel column chromatography to afford the target product 2-methyl-5-nitroanisole. | [References]
[1] European Journal of Organic Chemistry, 2009, # 27, p. 4614 - 4621
[2] Bioorganic and Medicinal Chemistry, 2011, vol. 19, # 10, p. 3156 - 3172
[3] Chemical and Pharmaceutical Bulletin, 2014, vol. 62, # 10, p. 979 - 988
[4] Patent: US2004/214798, 2004, A1. Location in patent: Page 18 |
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