No renderable structure data available
C1=CC(=C(C(=C1)F)F)C(=NO)NChemical Intermediate
Structures, identifiers and computed properties have been matched to the database record by CAS.
| Intermediates | 2,3-difluoro-N'-hydroxybenzenecarboximidamide |
|---|---|
| IUPAC Name | — |
| CAS Number | 885957-13-1 |
| Database ID | 3278378 |
| Molecular Formula | — |
| Molecular Weight | — |
Product Information
2,3-difluoro-N'-hydroxybenzenecarboximidamide (CAS 885957-13-1) product identity, structure identifiers and related reaction data for chemical intermediate research and sourcing review.
Potential Applications
For professional research and industrial use only
Database ID 3278378
Safety Notice
For professional research and industrial use only. Review the supplier safety data sheet before handling.
Synthesis data
11 reactions · 11 references
Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-ce4badfabc7d4415a5949fcc971ee9cfConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: The title compound was prepared according to the procedure of Example 1 using 2,3-difluoro-N′-hydroxybenzimidamide (Tyger Scientific) and nicotinoyl chloride hydrochloride (Aldrich). 1H NMR (300 MHz, DMSO-d6) δ 7.42-7.61 (m, 1H), 7.67-7.85 (m, 2H), 7.91-8.04 (m, 1H), 8.57 (dt, J=8.1, 1.9 Hz, 1H), 8.92 (dd, J=4.8, 1.6 Hz, 1H), 9.36 (dd, J=2.4, 0.8 Hz, 1H) ppm; MS (DCl/NH3) m/z 260 (M+H)+.
Source ID: ord-7fe2d19fd1994813be3f3485fe2f6802Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: The title compound was prepared according to the procedure of Example 1 using 2,3-difluoro-N′-hydroxybenzimidamide (Tyger Scientific) and nicotinoyl chloride hydrochloride (Aldrich). 1H NMR (300 MHz, DMSO-d6) δ 7.42-7.61 (m, 1H), 7.67-7.85 (m, 2H), 7.91-8.04 (m, 1H), 8.57 (dt, J=8.1, 1.9 Hz, 1H), 8.92 (dd, J=4.8, 1.6 Hz, 1H), 9.36 (dd, J=2.4, 0.8 Hz, 1H) ppm; MS (DCl/NH3) m/z 260 (M+H)+.
Source ID: ord-7fe2d19fd1994813be3f3485fe2f6802Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: The title compound was prepared according to the procedure of Example 1 using 2,3-difluoro-N′-hydroxybenzimidamide (Tyger Scientific) and nicotinoyl chloride hydrochloride (Aldrich). 1H NMR (300 MHz, DMSO-d6) δ 7.42-7.61 (m, 1H), 7.67-7.85 (m, 2H), 7.91-8.04 (m, 1H), 8.57 (dt, J=8.1, 1.9 Hz, 1H), 8.92 (dd, J=4.8, 1.6 Hz, 1H), 9.36 (dd, J=2.4, 0.8 Hz, 1H) ppm; MS (DCI/NH3) m/z 260 (M+H)+.
Source ID: ord-12f2337d1de049619072edb68ef25e51Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: The title compound was prepared according to the procedure of Example 1 using 2,3-difluoro-N′-hydroxybenzimidamide (Tyger Scientific) and nicotinoyl chloride hydrochloride (Aldrich). 1H NMR (300 MHz, DMSO-d6) δ 7.42-7.61 (m, 1 H), 7.67-7.85 (m, 2 H), 7.91-8.04 (m, 1 H), 8.57 (dt, J=8.1, 1.9 Hz, 1 H), 8.92 (dd, J=4.8, 1.6 Hz, 1 H), 9.36 (dd, J=2.4, 0.8 Hz, 1 H) ppm; MS (DCI/NH3) m/z 260 (M+H)+.
Source ID: ord-7975f04eba414c908c32fc0a3e5fa393Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: The title compound was prepared according to the procedure of Example 1 using 2,3-difluoro-N′-hydroxybenzimidamide (Tyger Scientific) and nicotinoyl chloride hydrochloride (Aldrich). 1H NMR (300 MHz, DMSO-d6) δ 7.42-7.61 (m, 1 H), 7.67-7.85 (m, 2 H), 7.91-8.04 (m, 1 H), 8.57 (dt, J=8.1, 1.9 Hz, 1 H), 8.92 (dd, J=4.8, 1.6 Hz, 1 H), 9.36 (dd, J=2.4, 0.8 Hz, 1 H) ppm; MS (DCI/NH3) m/z 260 (M+H)+.
Source ID: ord-7975f04eba414c908c32fc0a3e5fa393Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-ce4badfabc7d4415a5949fcc971ee9cfConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: 5.0 g (35.2 mmol) of 2,3-difluorobenzonitrile were initially charged in 43 ml of ethanol, and a solution of 3.7 g (52.8 mmol) of hydroxylammonium chloride and 5.9 ml (4.3 g, 42.3 mmol) of triethylamine was added at RT. The reaction mixture was stirred at RT for 16 h, concentrated under reduced pressure, taken up in ethyl acetate and washed with saturated aqueous sodium bicarbonate solution. The organic extracts were dried over sodium sulphate, filtered and concentrated under reduced pressure. Yield: 5.7 g (94% of theory) concentrated under reduced pressure washed with saturated aqueous sodium bicarbonate solution The organic extracts were dried over sodium sulphate filtered concentrated under reduced pressure
Source ID: ord-433983e8521842ed81758141f19f9966Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: The title compound was prepared according to the procedure of Example 1 using 2,3-difluoro-N′-hydroxybenzimidamide (Tyger Scientific) and nicotinoyl chloride hydrochloride (Aldrich). 1H NMR (300 MHz, DMSO-d6) δ 7.42-7.61 (m, 1H), 7.67-7.85 (m, 2H), 7.91-8.04 (m, 1H), 8.57 (dt, J=8.1, 1.9 Hz, 1H), 8.92 (dd, J=4.8, 1.6 Hz, 1H), 9.36 (dd, J=2.4, 0.8 Hz, 1H) ppm; MS (DCl/NH3) m/z 260 (M+H)+.
Source ID: ord-7fe2d19fd1994813be3f3485fe2f6802Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: The title compound was prepared according to the procedure of Example 1 using 2,3-difluoro-N′-hydroxybenzimidamide (Tyger Scientific) and nicotinoyl chloride hydrochloride (Aldrich). 1H NMR (300 MHz, DMSO-d6) δ 7.42-7.61 (m, 1H), 7.67-7.85 (m, 2H), 7.91-8.04 (m, 1H), 8.57 (dt, J=8.1, 1.9 Hz, 1H), 8.92 (dd, J=4.8, 1.6 Hz, 1H), 9.36 (dd, J=2.4, 0.8 Hz, 1H) ppm; MS (DCI/NH3) m/z 260 (M+H)+.
Source ID: ord-12f2337d1de049619072edb68ef25e51Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: The title compound was prepared according to the procedure of Example 1 using 2,3-difluoro-N′-hydroxybenzimidamide (Tyger Scientific) and nicotinoyl chloride hydrochloride (Aldrich). 1H NMR (300 MHz, DMSO-d6) δ 7.42-7.61 (m, 1 H), 7.67-7.85 (m, 2 H), 7.91-8.04 (m, 1 H), 8.57 (dt, J=8.1, 1.9 Hz, 1 H), 8.92 (dd, J=4.8, 1.6 Hz, 1 H), 9.36 (dd, J=2.4, 0.8 Hz, 1 H) ppm; MS (DCI/NH3) m/z 260 (M+H)+.
Source ID: ord-7975f04eba414c908c32fc0a3e5fa393PubChem References
These sources are listed in the compound's public database record.
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