Tert-butyl 4-(2,2,2-trifluoroacetyl)piperazine-1-carboxylate

Base Information

• Chemical Name: Tert-butyl 4-(2,2,2-trifluoroacetyl)piperazine-1-carboxylate
• CAS No.: 77278-37-6
• Molecular Formula: C11H17F3N2O3
• Molecular Weight: 282.25900
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID80604742
• Wikidata: Q82502764
• Mol file: 77278-37-6.mol

Synonyms:tert-butyl 4-(2,2,2-trifluoroacetyl)piperazine-1-carboxylate;77278-37-6;tert-Butyl 4-(2,2,2-trifluoroacetyl)-piperazine-1-carboxylate;1-Piperazinecarboxylic acid, 4-(trifluoroacetyl)-, 1,1-dimethylethyl ester;SCHEMBL693172;tert-Butyl 4-(trifluoroacetyl)piperazine-1-carboxylate;DTXSID80604742;MFCD22421755;AKOS016614652;CS-W001641;BS-24469;DB-373618;1-Boc-4-(2,2,2-trifluoroacetyl)piperazine;1-trifluoroacetyl-4-[1,1-dimethylethoxycarbonyl]piperazine;t-Butyl 4-(2,2,2-trifluoroacetyl)piperazine-1-carboxylate;tert-butyl4-(2,2,2-Trifluoroacetyl)piperazine-1-carboxylate;1,1-Dimethylethyl 4-(2,2,2-trifluoroacetyl)-1-piperazinecarboxylate;4-(2,2,2-trifluoro-acetyl)-piperazine-1-carboxylic acid tert-butyl ester

Chemical Property of Tert-butyl 4-(2,2,2-trifluoroacetyl)piperazine-1-carboxylate

Chemical Property:

• PSA: 49.85000
• LogP: 1.50380
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 282.11912689
• Heavy Atom Count: 19
• Complexity: 355

Purity/Quality:

NLT 98% ^*data from raw suppliers

tert-Butyl 4-(2,2,2-trifluoroacetyl)-piperazine-1-carboxylate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C(F)(F)F

Technology Process of Tert-butyl 4-(2,2,2-trifluoroacetyl)piperazine-1-carboxylate

There total 4 articles about Tert-butyl 4-(2,2,2-trifluoroacetyl)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: 99.0%

trifluoroacetic anhydride (407-25-0) + 1-t-Butoxycarbonylpiperazine (57260-71-6) → 4-(2,2,2-trifluoroacetyl)piperazine-1-carboxylic acid tert-butyl ester (77278-37-6)

Guidance literature:

With pyridine; In dichloromethane; at 0 - 20 ℃; for 1h;

Reference yield: 50.0%

trifluoroacetic acid (76-05-1) + 1-t-Butoxycarbonylpiperazine (57260-71-6) → 4-(2,2,2-trifluoroacetyl)piperazine-1-carboxylic acid tert-butyl ester (77278-37-6)

Guidance literature:

With triethylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; In dichloromethane; at 20 ℃; for 8h;

Reference yield:

ethyl trifluoroacetate, (383-63-1) + 1-t-Butoxycarbonylpiperazine (57260-71-6) → 4-(2,2,2-trifluoroacetyl)piperazine-1-carboxylic acid tert-butyl ester (77278-37-6)

Guidance literature:

upstream raw materials:

trifluoroacetic anhydride

1-t-Butoxycarbonylpiperazine

ethyl trifluoroacetate,

trifluoracetyl chloride

Downstream raw materials:

N-trifluoroacetyl piperazine hydrochloride

4-(2,2,2-trifluoroethyl)piperazin-1-carboxylic acid tert-butyl ester

C₁₇H₂₀ClF₃N₂O₃

2,2,2-trifluoro-1-[4-(2-{4-[3-((R)-2-methyl-pyrrolidin-1-yl)-propoxy]-phenyl}-2-oxo-ethyl)-piperazin-1-yl]-ethanone