No renderable structure data available
CC1(CNCCN1C)CChemical Intermediate
Structures, identifiers and computed properties have been matched to the database record by CAS.
| Intermediates | 1,2,2-trimethylpiperazine |
|---|---|
| IUPAC Name | — |
| CAS Number | 396133-32-7 |
| Database ID | 21973776 |
| Molecular Formula | — |
| Molecular Weight | — |
Product Information
1,2,2-trimethylpiperazine (CAS 396133-32-7) 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 21973776
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-952abe77590a483e883e7e71062028c1Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-99f817c0c0ba437aba6209bcd0adc9bbConditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-fa1e308dc3074e188d8f744495116353Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-05c43f3cc07843b0b953b9675bd5063eConditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-952abe77590a483e883e7e71062028c1Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-952abe77590a483e883e7e71062028c1Conditions: temp:50.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: A solution of lithium aluminium hydride in tetrahydrofuran (THF) (1.0 M, Aldrich cat. no. 21,277-6, 90 ml) is heated to 50° C. on an oil batch. Crude 3,3,4-trimethylpiperazin-2-one (10 g) is suspended in THF and is slowly added, giving evolution of gas. The resulting mixture is stirred at 45-56° C. for 4 hours, giving full conversion to the title compound according to NMR (no signal at 1.2 ppm from starting material). The mixture is cooled, and water (3.3 ml) is added, giving evolution of gas. Then a solution of sodium hydroxide in water (15%, 3.3 ml) is added, giving more gas, and finally water (10 ml) is added. The mixture is filtered, and the filter cake is washed with THF (100 ml). The filtrates are concentrated on a rotary evaporator (0.3 atm. and 60° C. in the water batch). The residue is dissolved in THF (200 ml) and dried with sodium sulphate, then the mixture is filtered, and the filtrate is concentrated on a rotary evaporator (0.2 atm and 60° C. in the water batch) giving 6.4 grams of the title compound. NMR complies with the structure, the substance contains some is slowly added giving evolution of gas
Source ID: ord-38c8166d1464496cb7620ee67429184dConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: The title compound was prepared in a manner similar to Example 112 using 6-(4-(4-cyano-2-methylphenyl)-5-hydroxy-1H-pyrazol-1-yl)nicotinic acid and 1,2,2-trimethylpiperazine. 1H NMR (400 MHz, DMSO-d6) δ ppm 0.95 (br. s., 6 H) 2.20 (s, 3 H) 2.35 (s, 3 H) 2.60 (t, J=5.05 Hz, 2 H) 2.97-3.72 (m, 4 H) 7.53 (dd, J=8.08, 1.52 Hz, 1 H) 7.59 (d, J=1.01 Hz, 1 H) 7.85 (d, J=8.08 Hz, 1 H) 7.93 (d, J=7.33 Hz, 1 H) 7.98 (s, 1 H) 8.36 (d, J=8.59 Hz, 1 H) 8.43 (br. s., 1 H); ESI-MS m/z [M+H]+ 431.3.
Source ID: ord-f95b34bcd99f4ca5b59a4723f31c0f72Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: The title compound was prepared in a manner similar to Example 112 using 6-(4-(4-cyano-2-methylphenyl)-5-hydroxy-1H-pyrazol-1-yl)nicotinic acid and 1,2,2-trimethylpiperazine. 1H NMR (400 MHz, DMSO-d6) δ ppm 0.95 (br. s., 6 H) 2.20 (s, 3 H) 2.35 (s, 3 H) 2.60 (t, J=5.05 Hz, 2 H) 2.97-3.72 (m, 4 H) 7.53 (dd, J=8.08, 1.52 Hz, 1 H) 7.59 (d, J=1.01 Hz, 1 H) 7.85 (d, J=8.08 Hz, 1 H) 7.93 (d, J=7.33 Hz, 1 H) 7.98 (s, 1 H) 8.36 (d, J=8.59 Hz, 1 H) 8.43 (br. s., 1 H); ESI-MS m/z [M+H]+ 431.3.
Source ID: ord-f95b34bcd99f4ca5b59a4723f31c0f72Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: The title compound was prepared in a manner similar to Example 112 using 6-(4-(4-cyano-2-methylphenyl)-5-hydroxy-1H-pyrazol-1-yl)nicotinic acid and 1,2,2-trimethylpiperazine. 1H NMR (400 MHz, DMSO-d6) δ ppm 0.95 (br. s., 6H) 2.20 (s, 3H) 2.35 (s, 3H) 2.60 (t, J=5.05 Hz, 2H) 2.97-3.72 (m, 4H) 7.53 (dd, J=8.08, 1.52 Hz, 1H) 7.59 (d, J=1.01 Hz, 1H) 7.85 (d, J=8.08 Hz, 1H) 7.93 (d, J=7.33 Hz, 1H) 7.98 (s, 1H) 8.36 (d, J=8.59 Hz, 1H) 8.43 (br. s., 1H); ESI-MS m/z [M+H]+ 431.3.
Source ID: ord-35ed51ad758a4331a5a0b4558eebccc1Conditions: temp:50.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: A solution of lithium aluminium hydride in tetrahydrofuran (THF) (1.0 M, Aldrich cat. no. 21,277-6, 90 ml) is heated to 50° C. on an oil batch. Crude 3,3,4-trimethylpiperazin-2-one (10 g) is suspended in THF and is slowly added, giving evolution of gas. The resulting mixture is stirred at 45-56° C. for 4 hours, giving full conversion to the title compound according to NMR (no signal at 1.2 ppm from starting material). The mixture is cooled, and water (3.3 ml) is added, giving evolution of gas. Then a solution of sodium hydroxide in water (15%, 3.3 ml) is added, giving more gas, and finally water (10 ml) is added. The mixture is filtered, and the filter cake is washed with THF (100 ml). The filtrates are concentrated on a rotary evaporator (0.3 atm. and 60° C. in the water batch). The residue is dissolved in THF (200 ml) and dried with sodium sulphate, then the mixture is filtered, and the filtrate is concentrated on a rotary evaporator (0.2 atm and 60° C. in the water batch) giving 6.4 grams of the title compound. NMR complies with the structure, the substance contains some THF. is slowly added giving evolution of gas
Source ID: ord-f7057f8783114ad3a2ae885004792c99Conditions: temp:50.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: A solution of lithium aluminium hydride in tetrahydrofuran (THF) (1.0 M, Aldrich cat. no. 21,277-6, 90 ml) is heated to 50° C. on an oil batch. Crude 3,3,4-trimethylpiperazin-2-one (10 g) is suspended in THF and is slowly added, giving evolution of gas. The resulting mixture is stirred at 45-56° C. for 4 hours, giving full conversion to the title compound according to NMR (no signal at 1.2 ppm from starting material). The mixture is cooled, and water (3.3 ml) is added, giving evolution of gas. Then a solution of sodium hydroxide in water (15%, 3.3 ml) is added, giving more gas, and finally water (10 ml) is added. The mixture is filtered, and the filter cake is washed with THF (100 ml). The filtrates are concentrated on a rotary evaporator (0.3 atm. and 60° C. in the water batch). The residue is dissolved in THF (200 ml) and dried with sodium sulphate, then the mixture is filtered, and the filtrate is concentrated on a rotary evaporator (0.2 atm and 60° C. in the water batch) giving 6.4 grams of the title compound. NMR complies with the structure, the substance contains some THF. is slowly added giving evolution of gas
Source ID: ord-f7057f8783114ad3a2ae885004792c99PubChem References
These sources are listed in the compound's public database record.
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