Reaction #4170951
Related Literature (1)
openreactiondata ↗doi:10.1039/C8SC04228D
Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-8436d06528e5431f913d1ab5b423a474No renderable structure data available
CC(C)CC1CNCCN1C(=O)OC(C)(C)CChemical Intermediate
Structures, identifiers and computed properties have been matched to the database record by CAS.
| Intermediates | tert-butyl 2-(2-methylpropyl)piperazine-1-carboxylate |
|---|---|
| IUPAC Name | — |
| CAS Number | 859518-31-3 |
| Database ID | 45073240 |
| Molecular Formula | — |
| Molecular Weight | — |
Product Information
tert-butyl 2-(2-methylpropyl)piperazine-1-carboxylate (CAS 859518-31-3) 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 45073240
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-8436d06528e5431f913d1ab5b423a474Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-9843b2d6fb7b4fbc9265afb4c9f8a885Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-c8812bfbae1f4315a441bca7fb6111a4Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-df0e10c9441a477a93e368336dd24e9aConditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-8436d06528e5431f913d1ab5b423a474Conditions: temp:90.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: A mixture of 3-(6-chloro-3-(trifluoromethyl)pyridin-2-yl)-1H-pyrazolo[3,4-b]pyridine (50 mg, 0.1674 mmol), K2CO3 (46.27 mg, 0.3348 mmol) and N-BOC isobutyl piperazine (81.14 mg, 0.3348 mmol) in DMF (1.786 mL) were heated at 90° C. for 100 mins in the microwave. The reaction was worked up by diluting with EtOAc, washing with bicarb and brine. This was dried over MgSO4, filtered and evaporated to dryness to give an orange residue. The residue was taken up in TFA/DCM (1 ml/3 ml) and stirred at RT for 2 hours. Reaction mixture was concentrated and the resultant residue was purified by reverse phase preparative HPLC [Waters Sunfire C18, 10 uM, 100A column, gradient 10%-95% B (solvent A: 0.05% TFA in water, solvent B: CH3CN) over 16 minutes at 25 mL/min]. The fractions were collected, passed through a sodium bicarbonate cartridge and freeze-dried to give the title compound as a white solid (39 mg, 36% Yield). washing with bicarb and brine This was dried over MgSO4 filtered evaporated to dryness to give an orange residue Reaction mixture was concentrated the resultant residue was purified by reverse phase preparative HPLC [Waters Sunfire C18, 10 uM, 100A column, gradient 10%-95% B (solvent A: 0.05% TFA in water, solvent B: CH3CN) over 16 minutes at 25 mL/min] The fractions were collected freeze-dried
Source ID: ord-b8c854c4aa7049c8a17e09afa8e32af2Conditions: temp:90.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: A mixture of 3-(6-chloro-3-(trifluoromethyl)pyridin-2-yl)-1H-pyrazolo[3,4-b]pyridine (50 mg, 0.1674 mmol), K2CO3 (46.27 mg, 0.3348 mmol) and N—BOC isobutyl piperazine (81.14 mg, 0.3348 mmol) in DMF (1.786 mL) were heated at 90° C. for 100 mins in the microwave. The reaction was worked up by diluting with EtOAc, washing with bicarb and brine. This was dried over MgSO4, filtered and evaporated to dryness to give an orange residue. The residue was taken up in TFA/DCM (1 ml/3 ml) and stirred at RT for 2 hours. Reaction mixture was concentrated and the resultant residue was purified by reverse phase preparative HPLC [Waters Sunfire C18, 10 uM, 100 A column, gradient 10%-95% B (solvent A: 0.05% TFA in water, solvent B: CH3CN) over 16 minutes at 25 mL/min]. The fractions were collected, passed through a sodium bicarbonate cartridge and freeze-dried to give the title compound as a white solid (39 mg, 36% Yield). washing with bicarb and brine This was dried over MgSO4 filtered evaporated to dryness to give an orange residue Reaction mixture was concentrated the resultant residue was purified by reverse phase preparative HPLC [Waters Sunfire C18, 10 uM, 100 A column, gradient 10%-95% B (solvent A: 0.05% TFA in water, solvent B: CH3CN) over 16 minutes at 25 mL/min] The fractions were collected freeze-dried
Source ID: ord-11f92f69080d4823b13feac73b9678deConditions: temp:90.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: A mixture of 3-(6-chloro-3-(trifluoromethyl)pyridin-2-yl)-1H-pyrazolo[3,4-b]pyridine (50 mg, 0.1674 mmol), K2CO3 (46.27 mg, 0.3348 mmol) and N—BOC isobutyl piperazine (81.14 mg, 0.3348 mmol) in DMF (1.786 mL) were heated at 90° C. for 100 mins in the microwave. The reaction was worked up by diluting with EtOAc, washing with bicarb and brine. This was dried over MgSO4, filtered and evaporated to dryness to give an orange residue. The residue was taken up in TFA/DCM (1 ml/3 ml) and stirred at RT for 2 hours. Reaction mixture was concentrated and the resultant residue was purified by reverse phase preparative HPLC [Waters Sunfire C18, 10 uM, 100 A column, gradient 10%-95% B (solvent A: 0.05% TFA in water, solvent B: CH3CN) over 16 minutes at 25 mL/min]. The fractions were collected, passed through a sodium bicarbonate cartridge and freeze-dried to give the title compound as a white solid (39 mg, 36% Yield). washing with bicarb and brine This was dried over MgSO4 filtered evaporated to dryness to give an orange residue Reaction mixture was concentrated the resultant residue was purified by reverse phase preparative HPLC [Waters Sunfire C18, 10 uM, 100 A column, gradient 10%-95% B (solvent A: 0.05% TFA in water, solvent B: CH3CN) over 16 minutes at 25 mL/min] The fractions were collected freeze-dried
Source ID: ord-11f92f69080d4823b13feac73b9678deConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: Intermediate 1 was coupled with 2-Isobutyl-piperazine-1-carboxylic acid tert-butyl ester following procedure B. LC-MS showed the product had the expected M+H+ of 445.
Source ID: ord-7824e5ef0511438ebfc5a315160d3e21Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: Intermediate 1 was coupled with 2-Isobutyl-piperazine-1-carboxylic acid tert-butyl ester following procedure B. LC-MS showed the product had the expected M+H+ of 445.
Source ID: ord-7824e5ef0511438ebfc5a315160d3e21Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: Intermediate 1 was coupled with 2-Isobutyl-piperazine-1-carboxylic acid tert-butyl ester following procedure B. LC-MS showed the product had the expected M+H+ of 445.
Source ID: ord-addc56ee2cf048618f58132ebab1d7ceConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: Intermediate 1 was coupled with 2-Isobutyl-piperazine-1-carboxylic acid tert-butyl ester following procedure B. LC-MS showed the product had the expected M+H+ of 445.
Source ID: ord-addc56ee2cf048618f58132ebab1d7cePubChem References
These sources are listed in the compound's public database record.
Related Products
12 related records
CAS 1420809-96-6
CAS 1242240-27-2
CAS 1269437-74-2
CAS 315493-35-7
CAS 1354016-66-2
CAS 1354000-41-1
CAS 896464-21-4
CAS 1286207-92-8
CAS 1407997-83-4
CAS 1423025-08-4
CAS 180975-66-0
CAS 1638771-39-7
Request a Quote
Send the required specification, quantity, destination and intended use. The CATO team will review availability and respond.
