1-(Diphenylmethyl)-4-[(oxiran-2-yl)methyl]piperazine

Base Information

• Chemical Name: 1-(Diphenylmethyl)-4-[(oxiran-2-yl)methyl]piperazine
• CAS No.: 111452-72-3
• Molecular Formula: C20H24 N2 O
• Molecular Weight: 308.423
• DSSTox Substance ID: DTXSID10437287
• Nikkaji Number: J525.686K
• Mol file: 111452-72-3.mol

Synonyms:111452-72-3;1-benzhydryl-4-(oxiran-2-ylmethyl)piperazine;1-(Diphenylmethyl)-4-[(oxiran-2-yl)methyl]piperazine;4-(Diphenylmethyl)-1-(2,3-epoxypropyl)piperazine;SCHEMBL5966233;DTXSID10437287;PNBNIKKSFYNIFB-UHFFFAOYSA-N;AKOS000278222;AKOS040764801;1-(Oxiranylmethyl)-4-(diphenylmethyl)piperazine;1-(diphenylmethyl)-4-(2,3-epoxypropyl)piperazine;1-(diphenylmethyl)-4-(1-(2,3-epoxy) propyl)piperazine;1-(diphenylmethyl)-4-(1-(2,3-epoxy)propyl)piperazine

Chemical Property of 1-(Diphenylmethyl)-4-[(oxiran-2-yl)methyl]piperazine

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 99-102 °C
• Refractive Index: 1.606
• Boiling Point: 423.9°Cat760mmHg
• PKA: 6.93±0.10(Predicted)
• Flash Point: 121.2°C
• PSA: 19.01000
• Density: 1.148g/cm³
• LogP: 2.66820
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 308.188863393
• Heavy Atom Count: 23
• Complexity: 337

Purity/Quality:

99%min ^*data from raw suppliers

4-(DIPHENYLMETHYL)-1-(2,3-EPOXYPROPYL)PIPERAZINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCN1CC2CO2)C(C3=CC=CC=C3)C4=CC=CC=C4

Technology Process of 1-(Diphenylmethyl)-4-[(oxiran-2-yl)methyl]piperazine

There total 4 articles about 1-(Diphenylmethyl)-4-[(oxiran-2-yl)methyl]piperazine 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: 71.3%

diphenylmethylpiperazine (841-77-0) + 1,2-Epoxy-3-bromopropane (3132-64-7,82584-73-4) → 1-(diphenylmethyl)-4-(2,3-epoxypropyl)piperazine (111452-72-3)

Guidance literature:

With potassium carbonate; In acetone; for 6h; Heating;

DOI:10.1021/jm00101a022

Reference yield:

diphenylmethylpiperazine (841-77-0) + epichlorohydrin (106-89-8,24969-06-0,13403-37-7) → 1-(diphenylmethyl)-4-(2,3-epoxypropyl)piperazine (111452-72-3)

Guidance literature:

With tetrabutylammomium bromide; In dichloromethane;

Reference yield:

1-(1-chloro-2-hydroxy-3-propanyl)-4-(diphenylmethyl)piperazine (75591-24-1) → 1-(diphenylmethyl)-4-(2,3-epoxypropyl)piperazine (111452-72-3)

Guidance literature:

With tetrabutylammomium bromide; potassium hydroxide; In water; toluene; at 20 ℃; for 2.5h;

DOI:10.1021/jo9020437

upstream raw materials:

diphenylmethylpiperazine

1,2-Epoxy-3-bromopropane

glycidyl nosylate

epichlorohydrin

Downstream raw materials:

4-(diphenylmethyl)-α-<(4-quinolinyloxy)methyl>-1-piperazineethanol

1-(4-Benzhydryl-piperazin-1-yl)-3-(3-[1.3,4]-thiadiazol-2-yl-phenoxy)propan-2-ol

1-(4-benzhydrylpiperazin-1-yl)-3-phenylsulfanylpropan-2-ol

1-(4-benzhydrylpiperazin-1-yl)-3-benzylsulfanylpropan-2-ol

Refernces

• 1、 Williams, D. Bradley G.,Cullen, Adam. "Al(OTf)3-mediated epoxide ring-opening reactions: Toward piperazine-derived physiologically active products". supporting information; experimental part. p. 9509 - 9512. Retrieved 2010/03/04.
• 2、 Estep,Josef,Bacon,Carabateas,Rumney IV,Pilling,Krafte,Volberg,Dillon,Dugrenier,Briggs,Canniff,Gorczyca,Stankus,Ezrin. "Synthesis and structure-activity relationships of 6-heterocyclic- substituted purines as inactivation modifiers of cardiac sodium channels". . p. 2582 - 2595. Retrieved 2007/10/02.