| Identification | Back Directory | [Name]
5-CHLORO-2,3-DIPHENYL-1H-INDOLE | [CAS]
52598-02-4 | [Synonyms]
5-Chloro-2,3-diphenylindole
5-CHLORO-2,3-DIPHENYL-1H-INDOLE
1H-Indole, 5-chloro-2,3-diphenyl- | [Molecular Formula]
C20H14ClN | [MDL Number]
MFCD00974243 | [MOL File]
52598-02-4.mol | [Molecular Weight]
303.78 |
| Chemical Properties | Back Directory | [Melting point ]
130-131 °C(Solv: ethanol (64-17-5)) | [Boiling point ]
478.1±33.0 °C(Predicted) | [density ]
1.243±0.06 g/cm3(Predicted) | [storage temp. ]
Sealed in dry,Room Temperature | [pka]
15.63±0.30(Predicted) | [Appearance]
Light brown to brown Solid | [InChI]
InChI=1S/C20H14ClN/c21-16-11-12-18-17(13-16)19(14-7-3-1-4-8-14)20(22-18)15-9-5-2-6-10-15/h1-13,22H | [InChIKey]
BAEWCDBRAIDXMN-UHFFFAOYSA-N | [SMILES]
N1C2=C(C=C(Cl)C=C2)C(C2=CC=CC=C2)=C1C1=CC=CC=C1 |
| Hazard Information | Back Directory | [Synthesis]
4-Chloroaniline (76.5 mg, 0.6 mmol) and diphenylacetylene (71.3 mg, 0.4 mmol) were used as raw materials, and Cp*Rh(H2O)3(OTf)2 (11.8 mg, 5 mol%) was added to the reaction vials as a catalyst, acetic anhydride (59.0 μL, 0.6 mmol) as acylate, and 2.0 mL of tertiary amyl alcohol as the solvent. The reaction system was stirred at 100 °C for 24 h under oxygen atmosphere (1 atm). After completion of the reaction, NaOH (48 mg, 1.2 mmol) and methanol (2 mL) were added to the reaction mixture and stirring was continued for 2 hours. Subsequently, purification by column chromatography afforded the target compound 5-chloro-2,3-diphenyl-1H-indole (3ja) as a white solid in 90% yield. | [References]
[1] Chemical Communications, 2014, vol. 50, # 33, p. 4331 - 4334
[2] Patent: CN105218426, 2016, A. Location in patent: Paragraph 0039; 0040 |
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SynAsst Chemical.
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