| Identification | More | [Name]
3-Amino-2-methylbenzoic acid | [CAS]
52130-17-3 | [Synonyms]
2-METHYL-3-AMINOBENZOIC ACID
3-AMINO-2-METHYLBENZOIC ACID
3-AMINO-2-TOLUIC ACID
3-AMINO-O-TOLUIC ACID
H-(3)ABZ(2-ME)-OH
H(3)-ATL(2)-OH
3-Amino-o-toluic
Benzoic acid, 3-amino-2-methyl-(9CI)
2-Methyl-3-amino
3-AMINO-2-METHYLBENZOIC ACID/3-AMINO-O-TOLUIC ACID | [EINECS(EC#)]
213-446-8 | [Molecular Formula]
C8H9NO2 | [MDL Number]
MFCD00075026 | [Molecular Weight]
151.16 | [MOL File]
52130-17-3.mol |
| Chemical Properties | Back Directory | [Appearance]
white to beige powder | [Melting point ]
178-181 °C(lit.) | [Boiling point ]
273.17°C (rough estimate) | [density ]
1.2023 (rough estimate) | [refractive index ]
1.5810 (estimate) | [storage temp. ]
Keep in dark place,Inert atmosphere,Room temperature | [solubility ]
almost transparency in hot Methanol | [form ]
powder to crystal | [pka]
3.09±0.10(Predicted) | [color ]
White to Light yellow to Light orange | [BRN ]
2803090 | [InChI]
InChI=1S/C8H9NO2/c1-5-6(8(10)11)3-2-4-7(5)9/h2-4H,9H2,1H3,(H,10,11) | [InChIKey]
BYHMLZGICSEKIY-UHFFFAOYSA-N | [SMILES]
C(O)(=O)C1=CC=CC(N)=C1C | [CAS DataBase Reference]
52130-17-3(CAS DataBase Reference) |
| Hazard Information | Back Directory | [Chemical Properties]
white to beige powder | [Synthesis]
The general procedure for the synthesis of 3-amino-2-methylbenzoic acid from 2-methyl-3-nitrobenzoic acid was as follows: 2-methyl-3-nitrobenzoic acid (2 g, 12.12 mmol) was dissolved in ethyl acetate in a two-necked round-bottomed flask and 5% Pd-C catalyst (0.10 g) was added. The reaction mixture was stirred for 15 h under hydrogen atmosphere. After completion of the reaction, the solvent was removed by distillation under reduced pressure to give the crude product. The crude product was purified by column chromatography (silica gel 60-120 mesh, with dichloromethane and ethanol (v/v, 99.5:0.5) as eluents) to give a white solid product with a melting point of 181°C. IR (νmax, cm-1): 3244 (νN-H), 1724 (νC=O, acid), 1284 (νC-N, aromatic amine). Elemental analysis (C8H9NO2) Calculated values: C, 63.56%; H, 6.00%; N, 9.27%. Measured values: C, 63.13%; H, 5.87%; N, 8.99%. | [References]
[1] Tetrahedron Letters, 2000, vol. 41, # 11, p. 1741 - 1745
[2] Journal of Molecular Structure, 2013, vol. 1049, p. 78 - 89
[3] Bulletin de la Societe Scientifique de Bretagne, 1956, vol. 31, p. Sonderheft S.9,41
[4] Bulletin de la Societe Chimique de France, 1973, p. 3427 - 3432
[5] Tetrahedron Letters, 1998, vol. 39, # 47, p. 8589 - 8592 |
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