1-(4-tert-Butylphenyl)piperazine

Base Information

• Chemical Name: 1-(4-tert-Butylphenyl)piperazine
• CAS No.: 68104-61-0
• Molecular Formula: C14H22 N2
• Molecular Weight: 218.342
• Hs Code.: 2933599090
• European Community (EC) Number: 268-473-8
• DSSTox Substance ID: DTXSID10987575
• Nikkaji Number: J317.316J
• Mol file: 68104-61-0.mol

Synonyms:1-(4-tert-Butylphenyl)piperazine;68104-61-0;1-(4-tert-Butyl-phenyl)-piperazine;1-(4-tert-butyl-phenyl)piperazine;EINECS 268-473-8;1-(4-tert-butyl phenyl) piperazine;1-[(4-tert-Butyl)phenyl]piperazine;1-(4-t-butylphenyl)piperazine;1-[4-t-butylphenyl]piperazine;Piperazine,1-[4-(1,1-dimethylethyl)phenyl]-;Piperazine, 1-[4-(1,1-dimethylethyl)phenyl]-;Oprea1_499891;Oprea1_856823;SCHEMBL270283;DTXSID10987575;N-(4-tert-butylphenyl)-piperazine;1-(4-tert-Butyl phenyl)piperazine;MFCD01408752;AKOS009144778;AB91995;FS-1564;CS-0207418;FT-0641160;EN300-111002;A836006;J-503379

Chemical Property of 1-(4-tert-Butylphenyl)piperazine

Chemical Property:

• Vapor Pressure: 5.79E-05mmHg at 25°C
• Boiling Point: 346.4°Cat760mmHg
• Flash Point: 140.7°C
• PSA: 15.27000
• Density: 0.972g/cm³
• LogP: 2.78750
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 218.178298710
• Heavy Atom Count: 16
• Complexity: 205

Purity/Quality:

98%min ^*data from raw suppliers

1-(4-tert-Butylphenyl)piperazine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C1=CC=C(C=C1)N2CCNCC2

Technology Process of 1-(4-tert-Butylphenyl)piperazine

There total 6 articles about 1-(4-tert-Butylphenyl)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: 97.0%

tert-butyl 4-(4-(tert-butyl)phenyl)piperazine-1-carboxylate → N-(4-tert-butylphenyl)-piperazine (68104-61-0)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; at 20 ℃; for 16h;

Reference yield: 97.0%

piperazine (110-85-0) + 1-bromo-4-tert-butylbenzene (3972-65-4) → 1,4-bis(4-(tert-butyl)phenyl)piperazine + N-(4-tert-butylphenyl)-piperazine (68104-61-0)

Guidance literature:

With (SP-4-1)-[1,3-bis(2,6-bis(2,6-dimethylheptan-4-yl)phenyl)-4,5-dichloro-1H-imidazol-2-ylidene]dichloro(morpholine-κ-N4)-palladium; sodium t-butanolate; at 120 ℃; for 0.25h; Sealed tube;

DOI:10.1021/acs.joc.1c01057

Reference yield: 48.2%

piperazine (110-85-0) + 1-bromo-4-tert-butylbenzene (3972-65-4) → N-(4-tert-butylphenyl)-piperazine (68104-61-0)

Guidance literature:

With sodium t-butanolate; dichlorobis(tri-O-tolylphosphine)palladium; In toluene; at 100 ℃; for 3h;

upstream raw materials:

4-tert-Butylaniline

bis-(2-chloroethyl)amine hydrochloride

piperazine

1-bromo-4-tert-butylbenzene

Downstream raw materials:

C₁₈H₂₈N₂O₂

1-((1H-imidazol-4-yl)methyl)-4-(4-tert-butylphenyl)-piperazine

C₂₇H₃₃FN₄

Refernces

• 1、 -. "MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS". . . Retrieved 2018/09/12.
• 2、 Romeo, Giuseppe,Materia, Luisa,Manetti, Fabrizio,Cagnotto, Alfredo,Mennini, Tiziana,Nicoletti, Ferdinando,Botta, Maurizio,Russo, Filippo,Minneman, Kenneth P.. "New pyrimido[5,4-b]indoles as ligands for α1-adrenoceptor subtypes". . p. 2877 - 2894. Retrieved 2007/10/03.