No renderable structure data available
C1CCC(CC1)CCC=OChemical Intermediate
Structures, identifiers and computed properties have been matched to the database record by CAS.
| Intermediates | 3-cyclohexylpropanal |
|---|---|
| IUPAC Name | — |
| CAS Number | 4361-28-8 |
| Database ID | 78070 |
| Molecular Formula | — |
| Molecular Weight | — |
Product Information
3-cyclohexylpropanal (CAS 4361-28-8) 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 78070
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-24b9f2b39483442b83f91ba53e1ff2d3Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-e8d5e9e733f74014a32b96eea0af20f1Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-e07cbe2bee554ad38b3f82daa6174bb3Conditions: temp:0.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: Potassium tert-butoxide (20.2 g, 0.18 mol) was added portionwise over 10 minutes to a solution of 3-(diethoxyphosphoryl)succinic acid 1-tert-butyl ester (25.4 g, 82 mmol) in THF (115 ml), at 0° C., under nitrogen. The mixture was stirred at 0° C. for 40 minutes and then cooled to −20° C. A solution of 3-cyclohexylpropan-1-al (11.5 g, 82 mmol in THF (60 ml) was added dropwise over 10 minutes between −20 and −10° C., under nitrogen. The mixture was stirred between −20 and −5° C. for 3 hours and then aqueous citric acid (10%, 250 ml) and ethyl acetate (200 ml) was added. The organic phase was separated and the aqueous fraction was washed with ethyl acetate (200 ml). The combined organic fractions were washed with saturated sodium bicarbonate solution (2×100 ml), aqueous citric acid solution (10%, 100 ml) and demineralised water (100 ml) and then concentrated in vacuo. The resulting solid was taken up in ethyl acetate (150 ml) and cyclohexylamine (9.4 ml, 82 mmol) was added dropwise over 5 minutes at 20-25° C. The mixture was stirred at 20-25° C. for 16 hours and then filtered. The residue was dried in vacuo at 40° C. for 4 hours to leave the title compound as a colourless solid (21.7 g, 67% yield, 95% pure by NMR). cooled to −20° C The mixture was stirred between −20 and −5° C. for 3 hours The organic phase was separated the aqueous fraction was washed with ethyl acetate (200 ml) The combined organic fractions were washed with saturated sodium bicarbonate solution (2×100 ml), aqueous citric acid solution (10%, 100 ml) and demineralised water (100 ml) concentrated in vacuo The mixture was stirred at 20-25° C. for 16 hours filtered The residue was dried in vacuo at 40° C. for 4 hours
Source ID: ord-1e122ada3c35454d87e46e02c2bb0364Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-24b9f2b39483442b83f91ba53e1ff2d3Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-e8d5e9e733f74014a32b96eea0af20f1Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-e8d5e9e733f74014a32b96eea0af20f1Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: The product of Example 84 is treated with 3-cyclohexylpropanal according to a procedure similar to Stage 95e in order to produce the expected solid. to produce the expected solid
Source ID: ord-28a0670951cb4d05bb768d2bf53334a3Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: The product of Example 84 is treated with 3-cyclohexylpropanal according to a procedure similar to Stage 95e in order to produce the expected solid. to produce the expected solid
Source ID: ord-28a0670951cb4d05bb768d2bf53334a3Conditions: temp:0.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: Potassium tert-butoxide (20.2 g, 0.18 mol) was added portionwise over 10 minutes to a solution of 3-(diethoxyphosphoryl)succinic acid 1-tert-butyl ester (25.4 g, 82 mmol) in THF (115 ml), at 0° C., under nitrogen. The mixture was stirred at 0° C. for 40 minutes and then cooled to −20° C. A solution of 3-cyclohexylpropan-1-al (11.5 g, 82 mmol in THF (60 ml) was added dropwise over 10 minutes between −20 and −10° C., under nitrogen. The mixture was stirred between −20 and −5° C. for 3 hours and then aqueous citric acid (10%, 250 ml) and ethyl acetate (200 ml) was added. The organic phase was separated and the aqueous fraction was washed with ethyl acetate (200 ml). The combined organic fractions were washed with saturated sodium bicarbonate solution (2×100 ml), aqueous citric acid solution (10%, 100 ml) and demineralised water (100 ml) and then concentrated in vacuo. The resulting solid was taken up in ethyl acetate (150 ml) and cyclohexylamine (9.4 ml, 82 mmol) was added dropwise over 5 minutes at 20-25° C. The mixture was stirred at 20-25° C. for 16 hours and then filtered. The residue was dried in vacuo at 40° C. for 4 hours to leave the title compound as a colourless solid (21.7 g, 67% yield, 95% pure by NMR). cooled to −20° C The mixture was stirred between −20 and −5° C. for 3 hours The organic phase was separated the aqueous fraction was washed with ethyl acetate (200 ml) The combined organic fractions were washed with saturated sodium bicarbonate solution (2×100 ml), aqueous citric acid solution (10%, 100 ml) and demineralised water (100 ml) concentrated in vacuo The mixture was stirred at 20-25° C. for 16 hours filtered The residue was dried in vacuo at 40° C. for 4 hours
Source ID: ord-1e122ada3c35454d87e46e02c2bb0364Conditions: temp:0.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: Potassium tert-butoxide (20.2 g, 0.18 mol) was added portionwise over 10 minutes to a solution of 3-(diethoxyphosphoryl)succinic acid 1-tert-butyl ester (25.4 g, 82 mmol) in THF (115 ml), at 0° C., under nitrogen. The mixture was stirred at 0° C. for 40 minutes and then cooled to −20° C. A solution of 3-cyclohexylpropan-1-al (11.5 g, 82 mmol in THF (60 ml) was added dropwise over 10 minutes between −20 and −10° C., under nitrogen. The mixture was stirred between −20 and −5° C. for 3 hours and then aqueous citric acid (10%, 250 ml) and ethyl acetate (200 ml) was added. The organic phase was separated and the aqueous fraction was washed with ethyl acetate (200 ml). The combined organic fractions were washed with saturated sodium bicarbonate solution (2×100 ml), aqueous citric acid solution (10%, 100 ml) and demineralised water (100 ml) and then concentrated in vacuo. The resulting solid was taken up in ethyl acetate (150 ml) and cyclohexylamine (9.4 ml, 82 mmol) was added dropwise over 5 minutes at 20-25° C. The mixture was stirred at 20-25° C. for 16 hours and then filtered. The residue was dried in vacuo at 40° C. for 4 hours to leave the title compound as a colourless solid (21.7 g, 67% yield, 95% pure by NMR). cooled to −20° C The mixture was stirred between −20 and −5° C. for 3 hours The organic phase was separated the aqueous fraction was washed with ethyl acetate (200 ml) The combined organic fractions were washed with saturated sodium bicarbonate solution (2×100 ml), aqueous citric acid solution (10%, 100 ml) and demineralised water (100 ml) concentrated in vacuo The mixture was stirred at 20-25° C. for 16 hours filtered The residue was dried in vacuo at 40° C. for 4 hours
Source ID: ord-1e122ada3c35454d87e46e02c2bb0364Conditions: temp:22.01; pressure:0.00; stir:
Source ID: ord-a83694605ba74facbfd53892c87e504bPubChem 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.