No renderable structure data available
COC1=CC=C(C=C1)CC(C=O)ClChemical Intermediate
Structures, identifiers and computed properties have been matched to the database record by CAS.
| Intermediates | 2-chloro-3-(4-methoxyphenyl)propanal |
|---|---|
| IUPAC Name | — |
| CAS Number | 807667-27-2 |
| Database ID | 12102756 |
| Molecular Formula | — |
| Molecular Weight | — |
Product Information
2-chloro-3-(4-methoxyphenyl)propanal (CAS 807667-27-2) 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 12102756
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-071f539f585a44b4a3730891b781480fConditions: temp:130.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: A mixture of 5-(4-fluorophenyl)pyrimidin-2-amine (50 mg, 0.3 mmol), 2-chloro-3-(4-methoxyphenyl)propanal (52 mg, 0.26 mmol) in tert-amyl alcohol (1.0 mL) in a sealed reaction vial was heated at 130° C. for 3 hours. After cooling, the mixture was purified by preparative HPLC to afford the desired product. LCMS: (M+H)=334.0. in a sealed reaction After cooling the mixture was purified by preparative HPLC
Source ID: ord-cc7561f2aeec4985a6270737d3ff10a8Conditions: temp:130.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: A mixture of 5-(4-fluorophenyl)pyrimidin-2-amine (50 mg, 0.3 mmol), 2-chloro-3-(4-methoxyphenyl)propanal (52 mg, 0.26 mmol) in tert-amyl alcohol (1.0 mL) in a sealed reaction vial was heated at 130° C. for 3 hours. After cooling, the mixture was purified by preparative HPLC to afford the desired product. LCMS: (M+H)=334.0. in a sealed reaction After cooling the mixture was purified by preparative HPLC
Source ID: ord-cc7561f2aeec4985a6270737d3ff10a8Conditions: temp:130.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: A mixture of 6-(4-fluorophenyl)-1,2,4-triazin-3-amine hydrochloride (50 mg, 0.2 mmol) and 2-chloro-3-(4-methoxyphenyl)propanal (48 mg, 0.24 mmol) in tert-amyl alcohol (1 mL) was heated at 130° C. for 4 h. After cooling, the mixture was purified by preparative HPLC to afford the desired product. (7.1 mg) LCMS: (M+H)=335.1. After cooling the mixture was purified by preparative HPLC
Source ID: ord-c8450fcda9374181b026ca5f8d1a60c5Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: N-Chlorosuccinimide (980 mg, 0.0073 mol) was added to a mixture of 3-(4-methoxyphenyl)propanal (1.0 g, 6.1 mmol) and D-proline (40 mg, 0.3 mmol) in dichloromethane (10 mL, 200 mmol) at 0° C. The reaction mixture was warmed to RT after 1 h, quenched with water, and extracted with dichloromethane. The organic extracts were washed with brine, dried over magnesium sulfate, filtered, and concentrated under reduced pressure. The residue was purified by flash chromatography eluting with ethyl acetate in hexanes to give the desired product (860 mg). 1H NMR (400 MHz, CDCl3): 9.52 (s, 1H), 7.18 (dd, 2H), 6.84 (dd, 2H), 4.36 (m, 1H), 3.80 (s, 3H), 3.32 (m, 1H), 3.02 (m, 1H). quenched with water extracted with dichloromethane The organic extracts were washed with brine dried over magnesium sulfate filtered concentrated under reduced pressure The residue was purified by flash chromatography eluting with ethyl acetate in hexanes
Source ID: ord-9e6a8d100dbb427daa02525f0451b8c6Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: N-Chlorosuccinimide (980 mg, 0.0073 mol) was added to a mixture of 3-(4-methoxyphenyl)propanal (1.0 g, 6.1 mmol) and D-proline (40 mg, 0.3 mmol) in dichloromethane (10 mL, 200 mmol) at 0° C. The reaction mixture was warmed to RT after 1 h, quenched with water, and extracted with dichloromethane. The organic extracts were washed with brine, dried over magnesium sulfate, filtered, and concentrated under reduced pressure. The residue was purified by flash chromatography eluting with ethyl acetate in hexanes to give the desired product (860 mg). 1H NMR (400 MHz, CDCl3): 9.52 (s, 1H), 7.18 (dd, 2H), 6.84 (dd, 2H), 4.36 (m, 1H), 3.80 (s, 3H), 3.32 (m, 1H), 3.02 (m, 1H). quenched with water extracted with dichloromethane The organic extracts were washed with brine dried over magnesium sulfate filtered concentrated under reduced pressure The residue was purified by flash chromatography eluting with ethyl acetate in hexanes
Source ID: ord-9e6a8d100dbb427daa02525f0451b8c6Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-071f539f585a44b4a3730891b781480fConditions: temp:130.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: A mixture of 5-(4-fluorophenyl)pyrimidin-2-amine (50 mg, 0.3 mmol), 2-chloro-3-(4-methoxyphenyl)propanal (52 mg, 0.26 mmol) in tent-amyl alcohol (1.0 mL) in a sealed reaction vial was heated at 130° C. for 3 hours. After cooling, the mixture was purified by preparative HPLC to afford the desired product. LCMS: (M+H)=334.0. in a sealed reaction After cooling the mixture was purified by preparative HPLC
Source ID: ord-ff35776f4c2e478d972db69801e4c66bConditions: temp:130.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: A mixture of 6-(4-fluorophenyl)-1,2,4-triazin-3-amine hydrochloride (50 mg, 0.2 mmol) and 2-chloro-3-(4-methoxyphenyl)propanal (48 mg, 0.24 mmol) in tent-amyl alcohol (1 mL) was heated at 130° C. for 4 h. After cooling, the mixture was purified by preparative HPLC to afford the desired product. (7.1 mg) LCMS: (M+H)=335.1. After cooling the mixture was purified by preparative HPLC
Source ID: ord-616f148b72034667bd06323fcd77cb21Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: N-Chlorosuccinimide (980 mg, 0.0073 mol) was added to a mixture of 3-(4-methoxyphenyl)propanal (1.0 g, 6.1 mmol) and D-proline (40 mg, 0.3 mmol) in dichloromethane (10 mL, 200 mmol) at 0° C. The reaction mixture was warmed to RT after 1 h, quenched with water, and extracted with dichloromethane. The organic extracts were washed with brine, dried over magnesium sulfate, filtered, and concentrated under reduced pressure. The residue was purified by flash chromatography eluting with ethyl acetate in hexanes to give the desired product (860 mg). 1H NMR (400 MHz, CDCl3): 9.52 (s, 1H), 7.18 (dd, 2H), 6.84 (dd, 2H), 4.36 (m, 1H), 3.80 (s, 3H), 3.32 (m, 1H), 3.02 (m, 1H). quenched with water extracted with dichloromethane The organic extracts were washed with brine dried over magnesium sulfate filtered concentrated under reduced pressure The residue was purified by flash chromatography eluting with ethyl acetate in hexanes
Source ID: ord-6fe530957cde4a378dcab99723ab0b77Conditions: temp:130.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: A mixture of 5-(4-fluorophenyl)pyrimidin-2-amine (50 mg, 0.3 mmol), 2-chloro-3-(4-methoxyphenyl)propanal (52 mg, 0.26 mmol) in tert-amyl alcohol (1.0 mL) in a sealed reaction vial was heated at 130° C. for 3 hours. After cooling, the mixture was purified by preparative HPLC to afford the desired product. LCMS: (M+H)=334.0. in a sealed reaction After cooling the mixture was purified by preparative HPLC
Source ID: ord-cc7561f2aeec4985a6270737d3ff10a8Conditions: temp:130.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: A mixture of 6-(4-fluorophenyl)-1,2,4-triazin-3-amine hydrochloride (50 mg, 0.2 mmol) and 2-chloro-3-(4-methoxyphenyl)propanal (48 mg, 0.24 mmol) in tert-amyl alcohol (1 mL) was heated at 130° C. for 4 h. After cooling, the mixture was purified by preparative HPLC to afford the desired product. (7.1 mg) LCMS: (M+H)=335.1. After cooling the mixture was purified by preparative HPLC
Source ID: ord-c8450fcda9374181b026ca5f8d1a60c5PubChem References
These sources are listed in the compound's public database record.
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