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ClC1C=CC=CC=1C(C(C#N)C1C=CC(=CC=1)Cl)=O製品情報
2-chloro-a-(4-chlorophenyl)-b-oxo-benzenepropanenitrile (CAS 96514-71-5) product identity, structure identifiers and related reaction data for chemical intermediate research and sourcing review.
想定用途
専門的研究・工業用途限定
データベース ID 13470631
安全上の注意
For professional research and industrial use only. Review the supplier safety data sheet before handling.
合成データ
6 反応 · 6 文献
反応条件: temp:0.00; pressure:0.00; stir:
ソース ID: ord-e54a5393baf841048c41420677829b22反応条件: temp:60.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
実験手順: To a solution of (4-chlorophenyl)acetonitrile (15.1 g, 100 mmol) in THF (250 ml) was added NaH (60% dispersion in oil, 8.0 g, 200 mmol) in 3 portions over 5 minutes. To this was added a solution of 2-chlorobenzoic acid ethyl ester (18.3 g, 100 mmol) in THF (50 ml), dropwise over 10 minutes. The mixture was then heated at 60° C. overnight. After cooling to room temperature, water was added (2×10 ml, bubbling observed), and the reaction was concentrated, in vacuo, to ½ volume. The mixture was diluted with water (125 ml) and methylene chloride (125 ml), adjusted to pH=7 with 3 N aqueous HCl, and the aqueous layer separated and extracted with additional methylene chloride. The combined organics were dried (MgSO4) and concentrated, in vacuo, to give a brown oil (33 g) that began to solidify on standing. After stirring the residue overnight in diisopropyl ether (250 ml), the solid product was collected by vacuum filtration to afford, after drying, in vacuo, title product I-3A-1a (15.2 g, 52%) as a tan solid: −ESI MS (M−1) 288.0; 1H NMR (400 MHz, CD2Cl2) δ 7.74 (d, J=8.30 Hz, 1H), 7.60–7.25 (m, 7H), 5.65 (s, 1H). After cooling to room temperature (2×10 ml, bubbling observed) the reaction was concentrated, in vacuo The mixture was diluted with water (125 ml) and methylene chloride (125 ml) the aqueous layer separated extracted with additional methylene chloride The combined organics were dried (MgSO4) concentrated, in vacuo
ソース ID: ord-502a5548b00a4a6eb0a3c1a2c6d5cb1e反応条件: temp:60.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
実験手順: To a solution of (4-chlorophenyl)acetonitrile (15.1 g, 100 mmol) in THF (250 ml) was added NaH (60% dispersion in oil, 8.0 g, 200 mmol) in 3 portions over 5 minutes. To this was added a solution of 2-chlorobenzoic acid ethyl ester (18.3 g, 100 mmol) in THF (50 ml), dropwise over 10 minutes. The mixture was then heated at 60° C. overnight. After cooling to room temperature, water was added (2×10 ml, bubbling observed), and the reaction was concentrated, in vacuo, to ½ volume. The mixture was diluted with water (125 ml) and methylene chloride (125 ml), adjusted to pH=7 with 3 N aqueous HCl, and the aqueous layer separated and extracted with additional methylene chloride. The combined organics were dried (MgSO4) and concentrated, in vacuo, to give a brown oil (33 g) that began to solidify on standing. After stirring the residue overnight in diisopropyl ether (250 ml), the solid product was collected by vacuum filtration to afford, after drying, in vacuo, title product I-3A-1a (15.2 g, 52%) as a tan solid: −ESI MS (M−1) 288.0; 1H NMR (400 MHz, CD2Cl2) δ 7.74 (d, J=8.30 Hz, 1H), 7.60–7.25 (m, 7H), 5.65 (s, 1H). After cooling to room temperature (2×10 ml, bubbling observed) the reaction was concentrated, in vacuo The mixture was diluted with water (125 ml) and methylene chloride (125 ml) the aqueous layer separated extracted with additional methylene chloride The combined organics were dried (MgSO4) concentrated, in vacuo
ソース ID: ord-502a5548b00a4a6eb0a3c1a2c6d5cb1e反応条件: temp:60.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
実験手順: To a solution of (4-chlorophenyl)acetonitrile (15.1 g, 100 mmol) in THF (250 ml) was added NaH (60% dispersion in oil, 8.0 g, 200 mmol) in 3 portions over 5 minutes. To this was added a solution of 2-chlorobenzoic acid ethyl ester (18.3 g, 100 mmol) in THF (50 ml), dropwise over 10 minutes. The mixture was then heated at 60° C. overnight. After cooling to room temperature, water was added (2×10 ml, bubbling observed), and the reaction was concentrated, in vacuo, to ½ volume. The mixture was diluted with water (125 ml) and methylene chloride (125 ml), adjusted to pH=7 with 3 N aqueous HCl, and the aqueous layer separated and extracted with additional methylene chloride. The combined organics were dried (MgSO4) and concentrated, in vacuo, to give a brown oil (33 g) that began to solidify on standing. After stirring the residue overnight in diisopropyl ether (250 ml), the solid product was collected by vacuum filtration to afford, after drying, in vacuo, title product I-3A-1a (15.2 g, 52%) as a tan solid: −ESI MS (M−1) 288.0; 1H NMR (400 MHz, CD2Cl2) δ 7.74 (d, J=8.30 Hz, 1H), 7.60–7.25 (m, 7H), 5.65 (s, 1H). After cooling to room temperature (2×10 ml, bubbling observed) the reaction was concentrated, in vacuo The mixture was diluted with water (125 ml) and methylene chloride (125 ml) the aqueous layer separated extracted with additional methylene chloride The combined organics were dried (MgSO4) concentrated, in vacuo
ソース ID: ord-502a5548b00a4a6eb0a3c1a2c6d5cb1e反応条件: temp:0.00; pressure:0.00; stir:
ソース ID: ord-e54a5393baf841048c41420677829b22反応条件: temp:60.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
実験手順: To a solution of (4-chlorophenyl)acetonitrile (15.1 g, 100 mmol) in THF (250 ml) was added NaH (60% dispersion in oil, 8.0 g, 200 mmol) in 3 portions over 5 minutes. To this was added a solution of 2-chlorobenzoic acid ethyl ester (18.3 g, 100 mmol) in THF (50 ml), dropwise over 10 minutes. The mixture was then heated at 60° C. overnight. After cooling to room temperature, water was added (2×10 ml, bubbling observed), and the reaction was concentrated, in vacuo, to ½ volume. The mixture was diluted with water (125 ml) and methylene chloride (125 ml), adjusted to pH=7 with 3 N aqueous HCl, and the aqueous layer separated and extracted with additional methylene chloride. The combined organics were dried (MgSO4) and concentrated, in vacuo, to give a brown oil (33 g) that began to solidify on standing. After stirring the residue overnight in diisopropyl ether (250 ml), the solid product was collected by vacuum filtration to afford, after drying, in vacuo, title product I-3A-1a (15.2 g, 52%) as a tan solid: −ESI MS (M−1) 288.0; 1H NMR (400 MHz, CD2Cl2) δ 7.74 (d, J=8.30 Hz, 1H), 7.60–7.25 (m, 7H), 5.65 (s, 1H). After cooling to room temperature (2×10 ml, bubbling observed) the reaction was concentrated, in vacuo The mixture was diluted with water (125 ml) and methylene chloride (125 ml) the aqueous layer separated extracted with additional methylene chloride The combined organics were dried (MgSO4) concentrated, in vacuo
ソース ID: ord-502a5548b00a4a6eb0a3c1a2c6d5cb1ePubChem References
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