Product Details of [ 162100-83-6 ]
| CAS No. : | 162100-83-6 | MDL No. : | MFCD11976069 |
| Formula : |
C10H8ClNO2
|
Boiling Point : |
365.6±22.0°C at 760 mmHg |
| Linear Structure Formula : | - | InChI Key : | N/A |
| M.W : | 209.63 | Pubchem ID : | 10727132 |
| Synonyms : |
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Computed Properties of [ 162100-83-6 ]
| TPSA :Topological Polar Surface Area |
42.1 |
H-Bond Acceptor Count : |
2 |
| XLogP3 : |
2.5 |
H-Bond Donor Count : |
1 |
| SP3 : |
0.10 |
Rotatable Bond Count : |
2 |
Safety of [ 162100-83-6 ]
| Signal Word: | Warning | Class | N/A |
| Precautionary Statements: | P280 | UN#: | N/A |
| Hazard Statements: | H302-H317 | Packing Group: | N/A |
| GHS Pictogram: |
|
Application In Synthesis of [ 162100-83-6 ]
- Upstream synthesis route of [ 162100-83-6 ]
- Downstream synthetic route of [ 162100-83-6 ]
- 1
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[ 162100-83-6 ]
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[ 1380284-64-9 ]
- 2
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[ 162100-83-6 ]
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[ 1380284-65-0 ]
- 3
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[ 162100-83-6 ]
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[ 1380284-63-8 ]
- 4
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[ 162100-83-6 ]
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[ 1380284-61-6 ]
- 5
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[ 162100-83-6 ]
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[ 75-36-5 ]
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[ 1380284-62-7 ]
| Yield | Reaction Conditions | Operation in experiment |
| 73% |
|
Step 3: Preparation of methyl 3-acetyl-6-chloro-1H-indole-5-carboxylate. To a solution of <strong>[162100-83-6]methyl 6-chloro-1H-indole-5-carboxylate</strong> (0.5 g, 2.4 mmol) in dichloromethane at 0 C, was added drop-wise, a solution of diethyl aluminum chloride (3.6 mL, 1M) and stirred under nitrogen for 45 min. To this mixture, added a solution of acetyl chloride (0.3 g, 3.8 mmol) in dichloromethane (3 mL). The resulting mixture was stirred for 3 h and at room temperature for 30 min. The reaction was quenched by the addition of cold Tris buffer (pH 7.5, 1 mM and added dichloromethane (2×15 mL). The solid that separated was removed by filtration, washed with water and dried to give the title compound (0.44 g, 73%), m/z=252 (M+H). |
- 6
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4-acetylamino-5-iodo-2-chloro-benzoic acid methyl ester
[ No CAS ]
-
[ 162100-83-6 ]
- 7
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[ 1036337-13-9 ]
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[ 162100-83-6 ]
| Yield | Reaction Conditions | Operation in experiment |
|
With copper(l) iodide; In N,N-dimethyl-formamide; at 110℃; for 5h; |
D. Methyl 6-chloro-1H-indole-5-carboxylate, 23f. A mixture of compound 23e (0.532 mmol, 150 mg) and CuI (0.32 mmol, 60 mg) in DMF (1.5 mL) was heated at 110 C. for 5 h and then cooled to room temperature. The reaction was quenched with water and extracted with EtOAc. The organic layer was concentrated and purified by flash column chromatography (silica gel, 15% EtOAc/hexanes) to give compound 23f. |
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A mixture of compound 23e (0.532 mmol, 150 mg) and CuI (0.32 mmol, 60 mg) in DMF (1.5 mL) was heated at 110 C. for 5 h and them cooled to room temperature. The reaction was quenched with water and extracted with EtOAc. The organic layer was concentrated and purified by flash column chromatography (silica gel, 15% EtOAc/hexanes) to give compound 23f |
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A mixture of compound 22m (150 mg, 0.532 mmol) and CuI (60 mg, 0.32 mmol) in DMF (1.5 mL) was heated at 110 C. for 5 h and them cooled to room temperature. The reaction was quenched with water and extracted with EtOAc. The organic layer was concentrated and purified by flash column chromatography (silica gel, 15% EtOAc/hexanes) to give compound 22n. |
- 8
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[ 256935-85-0 ]
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[ 162100-83-6 ]
- 9
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[ 46004-37-9 ]
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[ 162100-83-6 ]
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[ 2457-76-3 ]
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[ 162100-83-6 ]
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