| Identification | More | [Name]
4-(1H-Pyrazol-1-yl)aniline | [CAS]
17635-45-9 | [Synonyms]
1-(4-AMINOPHENYL)PYRAZOLE
4-(1H-PYRAZOL-1-YL)ANILINE
4-PYRAZOL-1-YL-PHENYLAMINE
4-PYRAZOL-1-YL-PHENYLAMINE HCL
4-PYRAZOL-1-YL-PHENYLAMINE HYDROCHLORIDE
AKOS B029459
BUTTPARK 98\50-47
CHEMBRDG-BB 4102901
4-PYRAZOL-1-YL-PHENYLAMINE 95% | [Molecular Formula]
C9H9N3 | [MDL Number]
MFCD00626298 | [Molecular Weight]
159.19 | [MOL File]
17635-45-9.mol |
| Chemical Properties | Back Directory | [Melting point ]
54 °C | [Boiling point ]
312.0±25.0 °C(Predicted) | [density ]
1.20±0.1 g/cm3(Predicted) | [storage temp. ]
under inert gas (nitrogen or Argon) at 2–8 °C | [form ]
solid | [pka]
4.03±0.10(Predicted) | [Appearance]
Gray to brown Solid | [InChI]
InChI=1S/C9H9N3/c10-8-2-4-9(5-3-8)12-7-1-6-11-12/h1-7H,10H2 | [InChIKey]
CSFIQHZIFKIQNO-UHFFFAOYSA-N | [SMILES]
C1(N)=CC=C(N2C=CC=N2)C=C1 | [CAS DataBase Reference]
17635-45-9(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S37/39:Wear suitable gloves and eye/face protection . | [Hazard Note ]
Irritant | [HazardClass ]
IRRITANT | [HS Code ]
2921420090 |
| Hazard Information | Back Directory | [Synthesis]
GENERAL STEPS: In a typical reaction, 5.0 mg of Pd-gCN catalyst (containing 5.0 wt% Pd) was mixed with 1.0 mM 1-(4-nitrophenyl)-1H-pyrazole in ethanol (2 mL) and 60% hydrazine hydrate solution (2 mM, 1.2 equiv, 0.07 mL). The mixture was placed in a 10 mL round-bottomed flask and reacted at reflux temperature (70°C) for 4 hours, followed by cooling to room temperature. After completion of the reaction, the reaction mixture was filtered and the filtrate was purified by silica gel column chromatography to afford 4-(1H-pyrazol-1-yl)aniline (1-(4-aminophenyl)pyrazole). For dinitroaromatic substrates, 4.0 mM (2.4 eq., 0.14 mL) of 60% hydrazine hydrate solution is required. | [References]
[1] Chemical and Pharmaceutical Bulletin, 2000, vol. 48, # 12, p. 1935 - 1946
[2] Applied Catalysis A: General, 2016, vol. 523, p. 31 - 38
[3] Patent: EP3159340, 2017, A1. Location in patent: Paragraph 0086; 0091
[4] Patent: US2015/336982, 2015, A1. Location in patent: Paragraph 0165; 0167
[5] Patent: CN105418590, 2016, A. Location in patent: Paragraph 0152; 0153; 0154 |
|
|