No renderable structure data available
CC(=O)NC1=CC(=C(C=C1)C=O)FChemical Intermediate
Structures, identifiers and computed properties have been matched to the database record by CAS.
| Intermediates | N-(3-fluoro-4-formylphenyl)acetamide |
|---|---|
| IUPAC Name | — |
| CAS Number | 475150-59-5 |
| Database ID | 10214430 |
| Molecular Formula | — |
| Molecular Weight | — |
Product Information
N-(3-fluoro-4-formylphenyl)acetamide (CAS 475150-59-5) 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 10214430
Safety Notice
For professional research and industrial use only. Review the supplier safety data sheet before handling.
Synthesis data
9 reactions · 9 references
Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-76c25d52b3ad4e75afa946f3e8884dc1Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-76c25d52b3ad4e75afa946f3e8884dc1Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: A solution of 0.182 g (0.002 mole) of thiosemicarbazide (Aldrich T3,340-5) in 6 mL of water containing 0.4 mL of acetic acid was added to a solution of 0.36 g (0.002 mole) 4-acetamido-3-fluorobenzaldehyde (20) in 5 mL of ethanol at 70°. The mixture was stirred at this temperature for 30 minutes. A white precipitate developed in the reaction mixture, which was filtered after cooling down to give 0.22 g (44% crude) of white powder which was recrystallized from methanol and dried, yielding 0.12 g (24%) of 17 as white crystals, mp 232-235° (dec.). Infrared (IR) and NMR analysis gave the following results: IR (potassium bromide): 3441, 3317, 3167,1673 (C=O), 1600, 1534,1415 cm1. 1H nmr (90 MHz, DMSO-d6):δ 11.53 (1H, s, thiosemicarbazone NH), 10.35 (1H, s, amide NH), 8.25 (1H, s, imine H), 8.08 (1H; t, 3JH5-H6=9Hz, 4JF-H6=9 Hz; H-6), 8.04 (2H; br s; thiosemicarbazone NH2), 7.7 (1H; dd, 3JF-H3=12.6 Hz, 4JH5-H3=1.8 Hz; H-3), 7.27 (1H; dd, 3JH6-H5=9 Hz, 4JH3-H5=1.8 Hz; H-5), 2.11 (3H, s, CH3). Anal. Calcd. for C10H11FN40S (254.28): C, 47.23; H, 4.36; F, 7.47; N, 22.03; S, 12.61. Found: C, 46.88; H, 4.35; F, 7.30; N, 21.62; S, 12.11. was filtered after cooling down to give 0.22 g (44% crude) of white powder which was recrystallized from methanol dried
Source ID: ord-dd1b1c24eb554c4ba9d70e82d2acb43cConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: A solution of 0.182 g (0.002 mole) of thiosemicarbazide (Aldrich T3,340-5) in 6 mL of water containing 0.4 mL of acetic acid was added to a solution of 0.36 g (0.002 mole) 4-acetamido-3-fluorobenzaldehyde (20) in 5 mL of ethanol at 70°. The mixture was stirred at this temperature for 30 minutes. A white precipitate developed in the reaction mixture, which was filtered after cooling down to give 0.22 g (44% crude) of white powder which was recrystallized from methanol and dried, yielding 0.12 g (24%) of 17 as white crystals, mp 232-235° (dec.). Infrared (IR) and NMR analysis gave the following results: IR (potassium bromide): 3441, 3317, 3167,1673 (C=O), 1600, 1534,1415 cm1. 1H nmr (90 MHz, DMSO-d6):δ 11.53 (1H, s, thiosemicarbazone NH), 10.35 (1H, s, amide NH), 8.25 (1H, s, imine H), 8.08 (1H; t, 3JH5-H6=9Hz, 4JF-H6=9 Hz; H-6), 8.04 (2H; br s; thiosemicarbazone NH2), 7.7 (1H; dd, 3JF-H3=12.6 Hz, 4JH5-H3=1.8 Hz; H-3), 7.27 (1H; dd, 3JH6-H5=9 Hz, 4JH3-H5=1.8 Hz; H-5), 2.11 (3H, s, CH3). Anal. Calcd. for C10H11FN40S (254.28): C, 47.23; H, 4.36; F, 7.47; N, 22.03; S, 12.61. Found: C, 46.88; H, 4.35; F, 7.30; N, 21.62; S, 12.11. was filtered after cooling down to give 0.22 g (44% crude) of white powder which was recrystallized from methanol dried
Source ID: ord-dd1b1c24eb554c4ba9d70e82d2acb43cConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: 4-Acetamido-2-fluorobenzaldehyde 20 then is reacted with thiosemicarbazide to form 4-acetamido-2-fluorobenzaldehyde thiosemicarbazone 17 in 45% yield. An exemplary scheme for this reaction is shown below.
Source ID: ord-25b41e7c91e242adaff7b2b218a098ddConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: A solution of 0.182 g (0.002 mole) of thiosemicarbazide (Aldrich T3,340-5) in 6 mL of water containing 0.4 mL of acetic acid was added to a solution of 0.36 g (0.002 mole) 4-acetamido-3-fluorobenzaldehyde (20) in 5 mL of ethanol at 70°. The mixture was stirred at this temperature for 30 minutes. A white precipitate developed in the reaction mixture, which was filtered after cooling down to give 0.22 g (44% crude) of white powder which was recrystallized from methanol and dried, yielding 0.12 g (24%) of 17 as white crystals, mp 232-235° (dec.). Infrared (IR) and NMR analysis gave the following results: was filtered after cooling down to give 0.22 g (44% crude) of white powder which was recrystallized from methanol dried
Source ID: ord-759f2d35cda94efda77e03327761f78cConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: 4-Acetamido-2-fluorobenzaldehyde 20 then is reacted with thiosemicarbazide to form 4-acetamido-2-fluorobenzaldehyde thiosemicarbazone 17 in 45% yield. An exemplary scheme for this reaction is shown below.
Source ID: ord-6b97c32cc8cc44d99c59889631ae12ffConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: A solution of 0.182 g (0.002 mole) of thiosemicarbazide (Aldrich T3,340-5) in 6 mL of water containing 0.4 mL of acetic acid was added to a solution of 0.36 g (0.002 mole) 4-acetamido-3-fluorobenzaldehyde (20) in 5 mL of ethanol at 70°. The mixture was stirred at this temperature for 30 minutes. A white precipitate developed in the reaction mixture, which was filtered after cooling down to give 0.22 g (44% crude) of white powder which was recrystallized from methanol and dried, yielding 0.12 g (24%) of 17 as white crystals, mp 232-235° (dec.). Infrared (IR) and NMR analysis gave the following results: IR (potassium bromide): 3441, 3317, 3167,1673 (C=O), 1600, 1534,1415 cm1. 1H nmr (90 MHz, DMSO-d6):δ 11.53 (1H, s, thiosemicarbazone NH), 10.35 (1H, s, amide NH), 8.25 (1H, s, imine H), 8.08 (1H; t, 3JH5-H6=9Hz, 4JF-H6=9 Hz; H-6), 8.04 (2H; br s; thiosemicarbazone NH2), 7.7 (1H; dd, 3JF-H3=12.6 Hz, 4JH5-H3=1.8 Hz; H-3), 7.27 (1H; dd, 3JH6-H5=9 Hz, 4JH3-H5=1.8 Hz; H-5), 2.11 (3H, s, CH3). Anal. Calcd. for C10H11FN40S (254.28): C, 47.23; H, 4.36; F, 7.47; N, 22.03; S, 12.61. Found: C, 46.88; H, 4.35; F, 7.30; N, 21.62; S, 12.11. was filtered after cooling down to give 0.22 g (44% crude) of white powder which was recrystallized from methanol dried
Source ID: ord-dd1b1c24eb554c4ba9d70e82d2acb43cConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: 4-Acetamido-2-fluorobenzaldehyde 20 then is reacted with thiosemicarbazide to form 4-acetamido-2-fluorobenzaldehyde thiosemicarbazone 17 in 45% yield. An exemplary scheme for this reaction is shown below.
Source ID: ord-25b41e7c91e242adaff7b2b218a098ddPubChem References
These sources are listed in the compound's public database record.
Request a Quote
Send the required specification, quantity, destination and intended use. The CATO team will review availability and respond.