1,2-Dibenzyl 3-tert-butyl piperazine-1,2,3-tricarboxylate

Base Information

• Chemical Name: 1,2-Dibenzyl 3-tert-butyl piperazine-1,2,3-tricarboxylate
• CAS No.: 816454-25-8
• Molecular Formula: C21H22N2O6
• Molecular Weight: 398.41
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID80703320
• Mol file: 816454-25-8.mol

Synonyms:816454-25-8;1,2-DIBENZYL 3-TERT-BUTYL PIPERAZINE-1,2,3-TRICARBOXYLATE;1-O,2-O-dibenzyl 3-O-tert-butyl piperazine-1,2,3-tricarboxylate;1822421-45-3;1,2-dibenzyl-3-tert-butyl piperazine-1,2,3-tricarboxylate;DTXSID80703320;FT-0743622;1,2-DIBENZYL3-TERT-BUTYLPIPERAZINE-1,2,3-TRICARBOXYLATE

Chemical Property of 1,2-Dibenzyl 3-tert-butyl piperazine-1,2,3-tricarboxylate

Chemical Property:

• PSA: 94.17000
• Density: 1.339
• LogP: 3.31740
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 10
• Exact Mass: 454.21038668
• Heavy Atom Count: 33
• Complexity: 664

Purity/Quality:

99% ^*data from raw suppliers

1,2-Dibenzyl3-tert-butylpiperazine-1,2,3-tricarboxylate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)C1C(N(CCN1)C(=O)OCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

Technology Process of 1,2-Dibenzyl 3-tert-butyl piperazine-1,2,3-tricarboxylate

There total 14 articles about 1,2-Dibenzyl 3-tert-butyl piperazine-1,2,3-tricarboxylate 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: 96.0%

(S)-5-bromo-2-(N,N'-di(benzyloxycarbonyl)hydrazino)-1-pentanoic acid → (S)-1,2-di(benzyloxycarbonyl)hexahydropyridazine-3-carboxylic acid (816454-25-8)

Guidance literature:

With sodium hydroxide; In N,N-dimethyl-formamide; at 0 ℃; for 24h; Time;

DOI:10.1021/op400155u

Reference yield: 91.0%

(S)-1,2-dibenzyloxycarbonyl-3-hydroxymethyl-tetrahydropyridazine (816454-17-8) → (S)-1,2-di(benzyloxycarbonyl)hexahydropyridazine-3-carboxylic acid (816454-25-8)

Guidance literature:

With 2,2,6,6-tetramethyl-piperidine-N-oxyl; sodium hypochlorite; sodium chlorite; In phosphate buffer; acetonitrile; pH=6.8;

DOI:10.1016/j.tetlet.2004.12.003

Reference yield: 29.0%

(S)-5-bromo-2-(N,N'-di(benzyloxycarbonyl)hydrazino)-1-pentanoic acid → (S)-3-(N,N'-di(benzyloxycarbonyl)hydrazinyl)tetrahydro-2H-pyran-2-one + (S)-1,2-di(benzyloxycarbonyl)hexahydropyridazine-3-carboxylic acid (816454-25-8)

Guidance literature:

With sodium hydride; In N,N-dimethyl-formamide; at 0 ℃; for 12h; Time; Temperature;

DOI:10.1021/op400155u

upstream raw materials:

(S)-1,2-dibenzyloxycarbonyl-3-hydroxymethyl-tetrahydropyridazine

5-bromopentanal

dibenzyl azodicarboxylate

(S)-5-bromo-2-N,N'-dibenzyloxycarbonylhydrazino-1-pentanol