Tert-Butyl 4-(3-(Isopropylamino)Pyridin-2-Yl)Piperazine-1-Carboxylate

Base Information

• Chemical Name: Tert-Butyl 4-(3-(Isopropylamino)Pyridin-2-Yl)Piperazine-1-Carboxylate
• CAS No.: 136818-14-9
• Molecular Formula: C₁₇H₂₈N₄O₂
• Molecular Weight: 320.435
• DSSTox Substance ID: DTXSID40440143
• Wikidata: Q82256370
• Mol file: 136818-14-9.mol

Synonyms:136818-14-9;1-Piperazinecarboxylicacid, 4-[3-[(1-methylethyl)amino]-2-pyridinyl]-, 1,1-dimethylethyl ester;Tert-butyl 4-[3-(propan-2-ylamino)pyridin-2-yl]piperazine-1-carboxylate;Tert-Butyl 4-(3-(Isopropylamino)Pyridin-2-Yl)Piperazine-1-Carboxylate;tert-Butyl 4-{3-[(propan-2-yl)amino]pyridin-2-yl}piperazine-1-carboxylate;1-((1,1-DIMETHYLETHOXY)CARBONYL)-4-(3-((1-METHYLETHYL)AMINO)-2-PYRIDYL)PIPERAZINE;starbld0012066;SCHEMBL8793643;DTXSID40440143;BCP34097;AKOS015911455;1-[1,1-Dimethylethoxycarbonyl]4-[3-(1-methylethylamino)-2-pyridinyl]piperazine;F71672;1-[1,1-Dimethylethoxycarbonyl]-4-[3-(1-methylethylamino)-2-pyridinyl]piperazine;1-Piperazinecarboxylicacid,4-[3-[(1-methylethyl)amino]-2-pyridinyl]-,1,1-dimethylethyl ester

Chemical Property of Tert-Butyl 4-(3-(Isopropylamino)Pyridin-2-Yl)Piperazine-1-Carboxylate

Chemical Property:

• PSA: 57.70000
• LogP: 3.03490
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 320.22122615
• Heavy Atom Count: 23
• Complexity: 387

Purity/Quality:

99%, ^*data from raw suppliers

1-((1,1-DIMETHYLETHOXY)CARBONYL)-4-(3-((1-METHYLETHYL)AMINO)-2-PYRIDYL)PIPERAZINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)NC1=C(N=CC=C1)N2CCN(CC2)C(=O)OC(C)(C)C

Technology Process of Tert-Butyl 4-(3-(Isopropylamino)Pyridin-2-Yl)Piperazine-1-Carboxylate

There total 7 articles about Tert-Butyl 4-(3-(Isopropylamino)Pyridin-2-Yl)Piperazine-1-Carboxylate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 100.0%

1-[1,1-dimethylethoxycarbonyl]-4-[3-amino-2-pyridinyl]piperazine (111669-25-1) + acetone (67-64-1) → 1-[1,1-Dimethylethoxycarbonyl]-4-[3-(1-methylethylamino)-2-pyridinyl]piperazine (136818-14-9)

Guidance literature:

1-[1,1-dimethylethoxycarbonyl]-4-[3-amino-2-pyridinyl]piperazine; acetone; With acetic acid; In 1,2-dichloro-ethane; at 20 ℃; for 0.166667h;

With sodium tris(acetoxy)borohydride; In 1,2-dichloro-ethane; at 20 ℃; for 64h;

Reference yield: 95.0%

acetone (67-64-1) + 1-tert-butoxycarbonyl-4-(3-nitro-2-pyridyl)piperazine (153473-24-6) → 1-[1,1-Dimethylethoxycarbonyl]-4-[3-(1-methylethylamino)-2-pyridinyl]piperazine (136818-14-9)

Guidance literature:

With 10% Pt/activated carbon; palladium 10% on activated carbon; hydrogen; toluene-4-sulfonic acid; at 50 ℃; under 750.075 - 30003 Torr; Reagent/catalyst; Pressure; Catalytic behavior; Autoclave;

Reference yield:

1-tert-butoxycarbonyl-4-(3-nitro-2-pyridyl)piperazine (153473-24-6) → 1-[1,1-Dimethylethoxycarbonyl]-4-[3-(1-methylethylamino)-2-pyridinyl]piperazine (136818-14-9)

Guidance literature:

Multi-step reaction with 2 steps

1: H₂ / 10 percent Pd/C / methanol

2: NaCNBH₃ / methanol

With hydrogen; sodium cyanoborohydride; palladium on activated charcoal; In methanol;

DOI:10.1248/cpb.49.1406

upstream raw materials:

acetone

1-tert-butoxycarbonyl-4-(3-nitro-2-pyridyl)piperazine

1-[1,1-dimethylethoxycarbonyl]-4-[3-amino-2-pyridinyl]piperazine

2-Chloro-3-nitropyridine

Downstream raw materials:

[3-(1-methylethylamino)-2-pyridinyl]piperazine

[5-(3-amino-phenyl)-1H-pyrrol-2-yl]-[4-(3-isopropylamino-pyridin-2-yl)-piperazin-1-yl]-methanone

[5-(4-amino-phenyl)-1H-pyrrol-2-yl]-[4-(3-isopropylamino-pyridin-2-yl)-piperazin-1-yl]-methanone

[5-(3-amino-phenyl)-1H-pyrrol-3-yl]-[4-(3-isopropylamino-pyridin-2-yl)-piperazin-1-yl]-methanone