No renderable structure data available
C1=CC(=CC=C1C(C2=CC=C(C=C2)F)N)FChemical Intermediate
Structures, identifiers and computed properties have been matched to the database record by CAS.
| Intermediates | bis(4-fluorophenyl)methanamine |
|---|---|
| IUPAC Name | — |
| CAS Number | 55095-27-7 |
| Database ID | 10955039 |
| Molecular Formula | — |
| Molecular Weight | — |
Product Information
bis(4-fluorophenyl)methanamine (CAS 55095-27-7) 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 10955039
Safety Notice
For professional research and industrial use only. Review the supplier safety data sheet before handling.
Synthesis data
12 reactions · 12 references
Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-ef640a570175462a9b1d39ba043461e3Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-fd4a007088904bfb8a700ad38dbf9554Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-d5bd347b70c4465cb01e36e770ad219dConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: Following a procedure similar to that described in Example 3(b), but using S-2-pyridyl 3-cyanoandrosta-3,5-diene-17β-thiocarboxylate [prepared as described in Example 3(a)] and 4,4'-di-fluorobenzhydrylamine (prepared as described in Preparation 12) as starting materials, in relative proportions similar to those used in that Example, the title compound was obtained in a yield of 91%.
Source ID: ord-0a208276f4ab43e9860d7de062d47f4dConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: 1-(phenylethyl)-4-(ethoxycarbonyl)piperidine (0.25 g, 0.95 mmol) was converted into its carboxylic acid, which was then reacted with bis(4-fluorophenyl)methyl amine (0.25 g, 1.14 mmol), EDCI (0.25 g, 1.27 mmol), HOBT (0.20 g, 1.48 mmol) in Et3N (1.5 ml) and CH2Cl2 (20 ml) to produce 4-[(bis(4-fluorophenyl)ethylamino)carbonyl-1-(phenylethyl)piperidine, 0.32 g (74% yield) (procedure E). 1H NMR (CD3Cl) δ 7.29-7.03 (10H, m, Ar—H), 7.05-6.99 (3H, m, Ar—H), 6.22-6.20 (1H, d, J=7.8 Hz), p-FPh2CH), 6.00-5.97 (1H, d, J=7.5 Hz, NH), 3.08-3.04 (2H, bd, J=11.4 Hz, N(CH)2), 2.83-2.78 (2H, d), 2.62-2.57 (2H, m), 2.25-2.15 (1H, m, NCOCH), 2.10-2.03 (2H, t, J=11.4 Hz, N(CH)2), 1.96-1.81 (4H, m).
Source ID: ord-15fbe6c2cd634d7db78dbbf5dcc7768fConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: 1-(phenylethyl)-4-(ethoxycarbonyl)piperidine (0.25 g, 0.95 mmol) was converted into its carboxylic acid, which was then reacted with bis(4-fluorophenyl)methyl amine (0.25 g, 1.14 mmol), EDCI (0.25 g, 1.27 mmol), HOBT (0.20 g, 1.48 mmol) in Et3N (1.5 ml) and CH2Cl2 (20 ml) to produce 4-[(bis(4-fluorophenyl)ethylamino)carbonyl-1-(phenylethyl)piperidine, 0.32 g (74% yield) (procedure E). 1H NMR (CD3Cl) δ 7.29-7.03 (10H, m, Ar—H), 7.05-6.99 (3H, m, Ar—H), 6.22-6.20 (1H, d, J=7.8 Hz), p-FPh2CH), 6.00-5.97 (1H, d, J=7.5 Hz, NH), 3.08-3.04 (2H, bd, J=11.4 Hz, N(CH)2), 2.83-2.78 (2H, d), 2.62-2.57 (2H, m), 2.25-2.15 (1H, m, NCOCH), 2.10-2.03 (2H, t, J=11.4 Hz, N(CH)2), 1.96-1.81 (4H, m).
Source ID: ord-15fbe6c2cd634d7db78dbbf5dcc7768fConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: 1-(phenylethyl)-4-(ethoxycarbonyl)piperidine (0.25 g, 0.95 mmol) was converted into its carboxylic acid, which was then reacted with bis(4-fluorophenyl)methyl amine (0.25 g, 1.14 mmol), EDCI (0.25 g, 1.27 mmol), HOBT (0.20 g, 1.48 mmol) in Et3N (1.5 ml) and CH2Cl2 (20 ml) to produce 4-[(bis(4-fluorophenyl)ethylamino)carbonyl-1-(phenylethyl)piperidine, 0.32 g (74% yield)(procedure E). 1H NMR (CD3Cl) δ 7.29-7.03 (10H, m, Ar—H), 7.05-6.99 (3H, m, Ar—H), 6.22-6.20 (1H, d, J=7.8 Hz), p-FPh2CH), 6.00-5.97 (1H, d, J=7.5 Hz, NH), 3.08-3.04 (2H, bd, J=11.4 Hz, N(CH)2), 2.83-2.78 (2H, d), 2.62-2.57 (2H, m), 2.25-2.15 (1H, m, NCOCH), 2.10-2.03 (2H, t, J=11.4 Hz, N(CH)2), 1.96-1.81 (4H, m).
Source ID: ord-011bc84b9b1a409d982380e4b191b455Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: 1-(phenylethyl)-4-(ethoxycarbonyl)piperidine (0.25 g, 0.95 mmol) was converted into its carboxylic acid, which was then reacted with bis(4-fluorophenyl)methyl amine (0.25 g, 1.14 mmol), EDCI (0.25 g, 1.27 mmol), HOBT (0.20 g, 1.48 mmol) in Et3N (1.5 ml) and CH2Cl2 (20 ml) to produce 4-[(bis(4-fluorophenyl)ethylamino)carbonyl-1-(phenylethyl)piperidine, 0.32 g (74% yield)(procedure E). 1H NMR (CD3Cl) δ 7.29-7.03 (10H, m, Ar—H), 7.05-6.99 (3H, m, Ar—H), 6.22-6.20 (1H, d, J=7.8 Hz), p-FPh2CH), 6.00-5.97 (1H, d, J=7.5 Hz, NH), 3.08-3.04 (2H, bd, J=11.4 Hz, N(CH)2), 2.83-2.78 (2H, d), 2.62-2.57 (2H, m), 2.25-2.15 (1H, m, NCOCH), 2.10-2.03 (2H, t, J=11.4 Hz, N(CH)2), 1.96-1.81 (4H, m).
Source ID: ord-011bc84b9b1a409d982380e4b191b455Conditions: temp:100.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: To a solution of formyl succinonitrile potassium salt (6.67 g, 45.6 mmol) and 1,1-bis(4-fluorophenyl) methaneamine (11.0 g, 50.2 mmol) in water (19 ml) was added acetic acid (19 ml) at room temperature, and the mixture was stirred 100° C. for 30 minutes. The solvent was distilled off under reduced pressure. The residue was poured into iced water, made basic with potassium carbonate and then extracted with ethyl acetate. The extract was washed with water and dried over anhydrous magnesium sulfate, and the solvent was distilled off under reduced pressure to give the objective product as oily matter. Yield (amount) 14.0 g, yield (rate) 99.3% The solvent was distilled off under reduced pressure The residue was poured into iced water extracted with ethyl acetate The extract was washed with water dried over anhydrous magnesium sulfate the solvent was distilled off under reduced pressure to give the objective product as oily matter Yield (amount) 14.0 g yield (rate) 99.3%
Source ID: ord-96fc6d4be570439583138995162dc8a3Conditions: temp:100.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: To a solution of formyl succinonitrile potassium salt (6.67 g, 45.6 mmol) and 1,1-bis(4-fluorophenyl) methaneamine (11.0 g, 50.2 mmol) in water (19 ml) was added acetic acid (19 ml) at room temperature, and the mixture was stirred 100° C. for 30 minutes. The solvent was distilled off under reduced pressure. The residue was poured into iced water, made basic with potassium carbonate and then extracted with ethyl acetate. The extract was washed with water and dried over anhydrous magnesium sulfate, and the solvent was distilled off under reduced pressure to give the objective product as oily matter. Yield (amount) 14.0 g, yield (rate) 99.3% The solvent was distilled off under reduced pressure The residue was poured into iced water extracted with ethyl acetate The extract was washed with water dried over anhydrous magnesium sulfate the solvent was distilled off under reduced pressure to give the objective product as oily matter Yield (amount) 14.0 g yield (rate) 99.3%
Source ID: ord-96fc6d4be570439583138995162dc8a3Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: A mixed solution of bis(4-fluorophenyl)methylformamide (13.9 g, 56.2 mmol), concentrated hydrochloric acid (80 ml) and methanol (160 ml) was stirred at 90° C. for 1.5 hours and cooled to room temperature, then a 6 N aqueous sodium hydroxide solution (170 ml) was added thereto, and the mixture was extracted with ethyl acetate. The extract was washed with water and dried over anhydrous magnesium sulfate, and the solvent was distilled off under reduced pressure to give the objective product as a solid material. Yield (amount) 11.5 g, yield (rate) 93.5% the mixture was extracted with ethyl acetate The extract was washed with water dried over anhydrous magnesium sulfate the solvent was distilled off under reduced pressure
Source ID: ord-7f54a19e89a546a899f2de2e0d9bdedfConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: To a stirred solution of 2-(6-bromobenzo[d]isoxazol-3-yl)benzaldehyde (compound 7) (2 g) in dichloromethane (33 mL) was added bis(4-fluorophenyl)methanamine (1.74 g) and anhydrous magnesium sulfate and stirred under nitrogen at room temperature for 18 h. Filtration and evaporation of the filtrate and crystallisation from dichloromethane-methanol gave the title compound (2.4 g). Filtration and evaporation of the filtrate and crystallisation from dichloromethane-methanol
Source ID: ord-4015796ac46d441698388cef6c323ce6PubChem References
These sources are listed in the compound's public database record.
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