tert-Butyl 4-(oxiran-2-ylmethyl)piperazine-1-carboxylate

Base Information

• Chemical Name: tert-Butyl 4-(oxiran-2-ylmethyl)piperazine-1-carboxylate
• CAS No.: 159873-06-0
• Molecular Formula: C12H22 N2 O3
• Molecular Weight: 242.318
• European Community (EC) Number: 690-963-9
• DSSTox Substance ID: DTXSID40573268
• Mol file: 159873-06-0.mol

Synonyms:159873-06-0;tert-Butyl 4-(oxiran-2-ylmethyl)piperazine-1-carboxylate;1-(2,3-Epoxypropyl)-4-tert-butoxycarbonylpiperazine;tert-Butyl 4-[(oxiran-2-yl)methyl]piperazine-1-carboxylate;XDRGUPXMFDJOFK-UHFFFAOYSA-N;SCHEMBL608185;DTXSID40573268;MFCD04973491;AKOS015900414;KE-0704;CS-0272865;EN300-83216;J-524660;tert-butyl 4-oxiranylmethylpiperazine-1-carboxylate;1-(2,3-epoxypropyl)-4-(tert-butoxycarbonyl)piperazine;(+/-)-4-oxiranylmethyl-piperazine-1-carboxylic acid tert-butyl ester

Chemical Property of tert-Butyl 4-(oxiran-2-ylmethyl)piperazine-1-carboxylate

Chemical Property:

• Vapor Pressure: 0.000249mmHg at 25°C
• Refractive Index: 1.51
• Boiling Point: 324.3°Cat760mmHg
• Flash Point: 149.9°C
• PSA: 45.31000
• Density: 1.134g/cm³
• LogP: 0.81370
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 242.16304257
• Heavy Atom Count: 17
• Complexity: 280

Purity/Quality:

97% ^*data from raw suppliers

tert-Butyl 4-(oxiran-2-ylmethyl)piperazine-1-carboxylate >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)CC2CO2

Technology Process of tert-Butyl 4-(oxiran-2-ylmethyl)piperazine-1-carboxylate

There total 3 articles about tert-Butyl 4-(oxiran-2-ylmethyl)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: 90.1%

epichlorohydrin (106-89-8,24969-06-0,13403-37-7) + 1-t-Butoxycarbonylpiperazine (57260-71-6) → (S)-4-Oxiranylmethyl-piperazine-1-carboxylic acidtert-butyl ester (159873-06-0)

Guidance literature:

With sodium hydroxide; In methanol;

Reference yield: 87.0%

1,2-Epoxy-3-bromopropane (3132-64-7,82584-73-4) + 1-t-Butoxycarbonylpiperazine (57260-71-6) → (S)-4-Oxiranylmethyl-piperazine-1-carboxylic acidtert-butyl ester (159873-06-0)

Guidance literature:

With potassium carbonate; In acetonitrile; at 20 ℃; for 48h;

DOI:10.1021/jm034107j

Reference yield: 70.0%

(R)-glycidyl nosylate (115314-14-2,115314-17-5) + 1-t-Butoxycarbonylpiperazine (57260-71-6) → (S)-4-Oxiranylmethyl-piperazine-1-carboxylic acidtert-butyl ester (159873-06-0)

Guidance literature:

upstream raw materials:

1,2-Epoxy-3-bromopropane

1-t-Butoxycarbonylpiperazine

epichlorohydrin

(R)-glycidyl nosylate

Downstream raw materials:

Bax channel blocker

(+/-)-3,6-Dibromo-9-(2-fluoro-3-piperazin-1-yl-propyl)-carbazole