| Identification | More | [Name]
4-Iodo-1-tritylimidazole | [CAS]
96797-15-8 | [Synonyms]
1H-IMIDAZOLE, 4-IODO-1-(TRIPHENYLMETHYL)-
1-TRITYL-4-IODOIMIDAZOLE
4-IODO-1-(TRIPHENYLMETHYL)-1-H-IMIDAZOLE
4-IODO-1-TRITYL-1H-IMIDAZOLE
4-IODO-1-TRITYLIMIDAZOLE
AKOS 6
N1-TRITYL-4-IODOIMIDAZOLE
1-TRITY-4-IODOIMIDAZOLE
4-Iodo-1-trityl-1H-imidazole 98%
4-IODO-1-TRITYLIMIDAZOLE, 95+%
4-Iodo-1-(triphenylmethyl)imidazole | [Molecular Formula]
C22H17IN2 | [MDL Number]
MFCD02179542 | [Molecular Weight]
436.29 | [MOL File]
96797-15-8.mol |
| Chemical Properties | Back Directory | [Melting point ]
224 °C | [Boiling point ]
509.7±45.0 °C(Predicted) | [density ]
1.40±0.1 g/cm3(Predicted) | [storage temp. ]
Keep in dark place,Sealed in dry,Room Temperature | [solubility ]
Chloroform (Slightly), DMSO (Slightly), Ethyl Acetate (Very Slightly) | [form ]
Solid | [pka]
3.80±0.61(Predicted) | [color ]
White | [InChI]
InChI=1S/C22H17IN2/c23-21-16-25(17-24-21)22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-17H | [InChIKey]
DXJZJYPLPZEYBH-UHFFFAOYSA-N | [SMILES]
C1N(C(C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)C=C(I)N=1 | [CAS DataBase Reference]
96797-15-8(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 . | [Hazard Note ]
Irritant | [HS Code ]
29332900 |
| Hazard Information | Back Directory | [Chemical Properties]
White Solid | [Synthesis]
To a solution of 5-iodo-1(H)-imidazole (3.5 g, 18.0 mmol) in DMF (70 mL) was added triethylamine (TEA, 3.0 mL, 21.7 mmol) and triphenylmethane chloride (5.5 g, 19.7 mmol). The reaction mixture was stirred at 20°C for 24 hours. Upon completion of the reaction, the solution was poured into water to quench the reaction. The precipitated solid was collected by filtration to give the crude product. The crude product was purified by rapid column chromatography on silica gel to afford 1-trityl-4-iodoimidazole (4) as a white solid (7.4 g, 94.0% yield). Melting point: 148-150 °C. 1H NMR (300 MHz, chloroform-d) δ (ppm): 6.9 (m, 1H), 7.0-7.2 (m, 6H), 7.25-7.4 (m, 10H). Mass spectrum (EI) m/z: 437.1 [MH]+. | [References]
[1] Journal of Heterocyclic Chemistry, 1985, vol. 22, p. 57 - 59
[2] European Journal of Medicinal Chemistry, 2017, vol. 140, p. 293 - 304
[3] Patent: CN107501272, 2017, A. Location in patent: Paragraph 0085; 0086; 0091; 0092
[4] Patent: WO2004/96822, 2004, A2. Location in patent: Page 262
[5] Patent: WO2004/96823, 2004, A2. Location in patent: Page 44; 45 |
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