No renderable structure data available
CCOC1=CC=C(C=C1)C=OChemical Intermediate
Structures, identifiers and computed properties have been matched to the database record by CAS.
| Intermediates | 4-ethoxybenzaldehyde |
|---|---|
| IUPAC Name | — |
| CAS Number | 10031-82-0 |
| Database ID | 24834 |
| Molecular Formula | — |
| Molecular Weight | — |
Product Information
4-ethoxybenzaldehyde (CAS 10031-82-0) 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 24834
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-352a7da267d641f396d3e5c326074baeConditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-a3c8abd5beb644fc8c701bd359af6e06Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-1aee434efa2f429087eac893e31c7ba6Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-29c91cedaad14a198605ae50d8863832Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-524ffb14669d42129e6ad61ae8e05c51Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-de13ecf475354c74a5064ce6407655ecConditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-fff9a16d760e4a4384501a0407405995Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: This compound was synthesized from 5-carboxypentyltriphenylphosphonium bromide (9.50 g, 20 mmol) and p-ethoxybenzaldehyde (3.00 g, 20 mmol) in THF (100 mL) by a Wittig reaction. Crystallization (hexanes-ethyl acetate) afforded the product (3.18 g, 64%) as white crystals (mp 62-63° C.), IR: 3450-2500, 1720 cm-1 ; 1H-NMR: 1.40 (t, 3H), 1.50 (m, 2H), 1.70 (m, 2H), 2.38 (m, 4H), 4.00 (q, 2H), 5.72+6.05 (m, 1H), 6.32 (t, 1H), 7.05 (q, 4H), 10.10 (bs, 1H). Anal. Calcd. for C15H20O3 : C, 72.55, H, 8.12% Found: C, 72.53, H, 8.15%. Z:E=45:55. Crystallization (hexanes-ethyl acetate)
Source ID: ord-e96bdbab8e974210ba94980c543bedd3Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-352a7da267d641f396d3e5c326074baeConditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-352a7da267d641f396d3e5c326074baeConditions: temp:60.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: Sodium cyanoborohydride (140 mmol) in methanol (0.4 mL) was added to a mixture of 4-[(N-(2-amino-5-chlorobenzoyl)glycyl)aminomethyl]piperidine (0.10 mmol), 4-ethoxybenzaldehyde (0.10 mmol), acetic acid (0.050 mL), and methanol (1.6 mL). The reaction mixture was stirred at 60° C. for 14 h. The reaction mixture was loaded onto Varian™ SCX column and washed with CH3OH (20 mL). Product was eluted using 2 N NH3 in CH3OH (6 mL) and concentrated. Preparative TLC (SiO2, AcOEt/CH3OH 5:1) afforded 4-[{N-(2-amino-5-chlorobenzoyl)glycyl}aminomethyl]-1-(4-ethoxybenzyl)piperidine (Compound No. 1429) and 1-(4-ethoxybenzyl)-4-[{N-(2-(4-ethoxybenzyl)amino-5-chlorobenzoyl)glycyl)aminomethyl]piperidine (Compound No. 1433). washed with CH3OH (20 mL) Product was eluted concentrated
Source ID: ord-240e1e92bcba4ddd8befbfad2c8266a9Conditions: temp:60.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: Sodium cyanoborohydride (140 mmol) in methanol (0.4 mL) was added to a mixture of 4-[(N-(2-amino-5-chlorobenzoyl)glycyl)aminomethyl]piperidine (0.10 mmol), 4-ethoxybenzaldehyde (0.10 mmol), acetic acid (0.050 mL), and methanol (1.6 mL). The reaction mixture was stirred at 60° C. for 14 h. The reaction mixture was loaded onto Varian™ SCX column and washed with CH3OH (20 mL). Product was eluted using 2 N NH3 in CH3OH (6 mL) and concentrated. Preparative TLC (SiO2, AcOEt/CH3OH 5:1) afforded 4-[{N-(2-amino-5-chlorobenzoyl)glycyl}aminomethyl]-1-(4-ethoxybenzyl)piperidine (Compound No. 1429) and 1-(4-ethoxybenzyl)-4-[{N-(2-(4-ethoxybenzyl)amino-5-chlorobenzoyl)glycyl)aminomethyl]piperidine (Compound No. 1433). washed with CH3OH (20 mL) Product was eluted concentrated
Source ID: ord-240e1e92bcba4ddd8befbfad2c8266a9PubChem References
These sources are listed in the compound's public database record.
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