ChemicalBook--->CAS DataBase List--->2836-00-2

2836-00-2

2836-00-2 Structure

2836-00-2 Structure
IdentificationMore
[Name]

3-Amino-4-methylphenol
[CAS]

2836-00-2
[Synonyms]

2-AMINO-4-HYDROXYTOLUENE
3-AMINO-4-METHYLPHENOL
3-amino-p-cresol
5-Hydroxy-o-toluidine
5-Hydroxy-2-methylaniline
m-Amino-p-cresol
Phenol, 3-amino-4-methyl-
[EINECS(EC#)]

220-622-8
[Molecular Formula]

C7H9NO
[MDL Number]

MFCD00075083
[Molecular Weight]

123.15
[MOL File]

2836-00-2.mol
Chemical PropertiesBack Directory
[Melting point ]

156-157°C
[Boiling point ]

229.26°C (rough estimate)
[density ]

1.0877 (rough estimate)
[refractive index ]

1.5706 (estimate)
[storage temp. ]

Keep in dark place,Inert atmosphere,Room temperature
[form ]

powder to crystal
[pka]

10.32±0.18(Predicted)
[color ]

Light yellow to Brown to Dark green
[CAS DataBase Reference]

2836-00-2(CAS DataBase Reference)
[EPA Substance Registry System]

2836-00-2(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Hazard Note ]

Irritant
[HS Code ]

2922290090
Hazard InformationBack Directory
[General Description]

Crystals.
[Reactivity Profile]

3-AMINO-4-METHYLPHENOL(2836-00-2) reacts with strong oxidizing agents.
[Air & Water Reactions]

3-AMINO-4-METHYLPHENOL may be sensitive to prolonged exposure to air.
[Fire Hazard]

Flash point data for this chemical are not available. 3-AMINO-4-METHYLPHENOL is probably combustible.
[Synthesis]

4-Methyl-3-nitrophenol

2042-14-0

3-Amino-4-methylphenol

2836-00-2

The general procedure for the synthesis of 3-amino-4-methylphenol from 4-methyl-3-nitrophenol was as follows: 4-methyl-3-nitrophenol (77 mg, 0.50 mmol), Fe nanoparticles (6 mg), and NaBH4 (29 mg, 0.75 mmol) were placed in 1.0 mL of 2 wt. % TPGS/H2O solution, and the reaction was carried out for 2 h at room temperature. Upon completion of the reaction, 56 mg (91% yield) of 3-amino-4-methylphenol was obtained as a white solid (hexane/ethyl acetate = 50:50). The melting point of the product was 154°C-156°C. It was analyzed by GC-MS with m/z of 123 [M], and the spectral data were consistent with those reported in the literature.

[References]

[1] Bioorganic and Medicinal Chemistry Letters, 2011, vol. 21, # 1, p. 240 - 244
[2] Green Chemistry, 2017, vol. 19, # 3, p. 809 - 815
[3] Journal of Medicinal Chemistry, 2010, vol. 53, # 5, p. 1964 - 1978
[4] ACS Catalysis, 2017, vol. 7, # 4, p. 2412 - 2418
[5] Patent: WO2018/208132, 2018, A1. Location in patent: Paragraph 704-708
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

5-Hydroxy-o-toluidine(2836-00-2).msds
Spectrum DetailBack Directory
[Spectrum Detail]

3-Amino-4-methylphenol(2836-00-2)1HNMR
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