1-Benzyl 4-tert-butyl piperazine-1,4-dicarboxylate

Base Information

• Chemical Name: 1-Benzyl 4-tert-butyl piperazine-1,4-dicarboxylate
• CAS No.: 121370-60-3
• Molecular Formula: C17H24N2O4
• Molecular Weight: 320.389
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID80566992
• Nikkaji Number: J1.003.414K
• Wikidata: Q82452768
• Mol file: 121370-60-3.mol

Synonyms:121370-60-3;1-Benzyl 4-tert-butyl piperazine-1,4-dicarboxylate;1-O-benzyl 4-O-tert-butyl piperazine-1,4-dicarboxylate;Piperazine-1,4-dicarboxylic acid benzyl ester tert-butyl ester;N-Boc-N-Cbz-piperazine;Benzyl tert-butyl piperazine-1,4-dicarboxylate;SCHEMBL1842426;DTXSID80566992;MCRCVCVGQNSZST-UHFFFAOYSA-N;MFCD16892489;CS-0442599;N-t-butoxycarbonyl-N'-benzyloxycarbonylpiperazine;1-Benzyl4-tert-butylpiperazine-1,4-dicarboxylate;1-Benzyl 4-(tert-butyl) piperazine-1,4-dicarboxylate;N-tert-butyloxycarbonyl-N'-benzyloxycarbonyl-piperazine;N-tert-butyloxycarbonyl--N'-benzyloxycarbonyl-piperazine;tert-Butyl 4-((benzyloxy)carbonyl) piperazine-1-carboxylate

Chemical Property of 1-Benzyl 4-tert-butyl piperazine-1,4-dicarboxylate

Chemical Property:

• PSA: 59.08000
• LogP: 2.75170
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 320.17360725
• Heavy Atom Count: 23
• Complexity: 405

Purity/Quality:

95+% ^*data from raw suppliers

1-Benzyl4-tert-butylpiperazine-1,4-dicarboxylate 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)N1CCN(CC1)C(=O)OCC2=CC=CC=C2

Technology Process of 1-Benzyl 4-tert-butyl piperazine-1,4-dicarboxylate

There total 6 articles about 1-Benzyl 4-tert-butyl piperazine-1,4-dicarboxylate 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%

benzyl chloroformate (501-53-1,94274-21-2) + 1-t-Butoxycarbonylpiperazine (57260-71-6) → tert-butyl 4-((benzyloxy)carbonyl)piperazine-1-carboxylate (121370-60-3)

Guidance literature:

With triethylamine; In dichloromethane; at 20 ℃; for 0.5h;

Reference yield:

1-t-Butoxycarbonylpiperazine (57260-71-6) → tert-butyl 4-((benzyloxy)carbonyl)piperazine-1-carboxylate (121370-60-3)

Guidance literature:

With sodium hydroxide; In water; ethyl acetate; phenyl chloroformate; acetone;

Reference yield:

benzyl chloroformate (501-53-1,94274-21-2) → tert-butyl 4-((benzyloxy)carbonyl)piperazine-1-carboxylate (121370-60-3)

Guidance literature:

With potassium hydrogensulfate; sodium hydrogencarbonate; triethylamine;

upstream raw materials:

benzyl chloroformate

1-t-Butoxycarbonylpiperazine

di-tert-butyl dicarbonate

benzyl alcohol

Downstream raw materials:

1-t-Butoxycarbonylpiperazine

phenylmethyl 1-piperazinecarboxylate

C₂₄H₃₂ClN₇O₄

C₂₉H₄₄N₈O₄

Refernces

• 1、 -. "VICINAL PRIMARY DIAMINES ASSOCIATED WITH METAL AND/OR FREE RADICAL CHELATION MOTIFS, AND ACTIVE AGAINST CARBONYL AND OXIDATIVE STRESS, AND USE THEREOF". . . Retrieved 2018/08/03.
• 2、 Velavan,Sumathi,Balasubramanian. "Unsymmetrical tetrasubstituted ureas from tertiary carbamoylimidazole: Activation by AlMe3". supporting information; experimental part. p. 6420 - 6431. Retrieved 2012/09/05.