| Identification | Back Directory | [Name]
1,3-BENZOXAZOL-6-AMINE | [CAS]
177492-52-3 | [Synonyms]
6-BenzoxazolaMine
6-AMINO-BENZOXAZOLE
Benzooxazol-6-ylamine
benzo[d]oxazol-6-amine
1,3-BENZOXAZOL-6-AMINE
6-Aminobenzoxazole,95%
6-Amino-1,3-benzoxazole | [Molecular Formula]
C7H6N2O | [MDL Number]
MFCD03791187 | [MOL File]
177492-52-3.mol | [Molecular Weight]
134.14 |
| Chemical Properties | Back Directory | [Melting point ]
88 °C | [storage temp. ]
under inert gas (nitrogen or Argon) at 2–8 °C | [form ]
Solid | [color ]
Orange to brown | [Water Solubility ]
Slightly soluble in water. | [Sensitive ]
Air Sensitive | [InChI]
1S/C7H6N2O/c8-5-1-2-6-7(3-5)10-4-9-6/h1-4H,8H2 | [InChIKey]
ZJYIRVSPPOOPCL-UHFFFAOYSA-N | [SMILES]
Nc1ccc2ncoc2c1 |
| Hazard Information | Back Directory | [Uses]
6-Aminobenzoxazole is used as pharmaceutical intermediate. | [Definition]
ChEBI: 6-Amino-benzoxazole is a benzoxazole. | [Synthesis]
GENERAL METHOD: 6-nitro-1,3-benzoxazole (6.13 mmol) was dissolved in ethanol (30 mL) and 10% Pd/C catalyst was added (the amount of catalyst was 20% of the mass of 6-nitro-1,3-benzoxazole). The mixture was placed in a Parr hydrogenation unit and the hydrogenation reaction was carried out at 50 psi H?(g) pressure overnight. Upon completion of the reaction, the catalyst was removed by filtration and the filtrate was concentrated under vacuum to remove the solvent. The crude product was purified by fast column chromatography using a 30%-40% ethyl acetate/hexane gradient elution to give pure 6-aminobenzoxazole. | [References]
[1] ACS Catalysis, 2015, vol. 5, # 3, p. 1526 - 1529
[2] Molecules, 2014, vol. 19, # 1, p. 925 - 939
[3] Collection of Czechoslovak Chemical Communications, 1996, vol. 61, # 2, p. 268 - 275
[4] Collection of Czechoslovak Chemical Communications, 1996, vol. 61, # 3, p. 371 - 380
[5] Chemical Communications, 2011, vol. 47, # 39, p. 10972 - 10974 |
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