1-Tert-butyl-4-(4-nitrophenyl)benzene

Base Information

• Chemical Name: 1-Tert-butyl-4-(4-nitrophenyl)benzene
• CAS No.: 279242-11-4
• Molecular Formula: C16H17 N O2
• Molecular Weight: 255.3117
• Hs Code.: 2904209090
• DSSTox Substance ID: DTXSID60182210
• Nikkaji Number: J1.311.636I
• Wikidata: Q83052861
• Mol file: 279242-11-4.mol

Synonyms:279242-11-4;1-tert-butyl-4-(4-nitrophenyl)benzene;4-(tert-Butyl)-4'-nitro-1,1'-biphenyl;CCRIS 8750;4-(1,1-Dimethylethyl)-4'-nitro-1,1'-biphenyl;1,1'-Biphenyl, 4-(1,1-dimethylethyl)-4'-nitro-;4'-tert-Butyl-4-nitrobiphenyl;SCHEMBL2660487;4'-tert-Butyl-4-nitro-biphenyl;DTXSID60182210;TYABARRZSWMSHQ-UHFFFAOYSA-N;MFCD03700807;AKOS016001032;BS-27843;LS-189416;4-(Tert-Butyl)-4''-Nitro-1,1''-Biphenyl;A876836

Chemical Property of 1-Tert-butyl-4-(4-nitrophenyl)benzene

Chemical Property:

• Boiling Point: 367.3oC at 760 mmHg
• Flash Point: 157.6oC
• PSA: 45.82000
• Density: 1.094g/cm3
• LogP: 5.08250
• XLogP3: 5.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 255.125928785
• Heavy Atom Count: 19
• Complexity: 300

Purity/Quality:

95+% ^*data from raw suppliers

4-(tert-Butyl)-4'-nitro-1,1'-biphenyl 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C1=CC=C(C=C1)C2=CC=C(C=C2)[N+](=O)[O-]

Technology Process of 1-Tert-butyl-4-(4-nitrophenyl)benzene

There total 8 articles about 1-Tert-butyl-4-(4-nitrophenyl)benzene 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%

p-tert-butylphenylboronic acid (123324-71-0) + para-nitrophenyl bromide (586-78-7) → 4'-tert-butyl-4-nitrobiphenyl (279242-11-4)

Guidance literature:

With potassium carbonate; In water; isopropyl alcohol; at 20 ℃; for 0.0166667h; Catalytic behavior; Green chemistry;

DOI:10.1007/s10562-021-03755-w

Reference yield: 95.0%

4-nitrobenzenediazonium tetrafluoroborate (456-27-9) + p-tert-butylphenylboronic acid (123324-71-0) → 4'-tert-butyl-4-nitrobiphenyl (279242-11-4)

Guidance literature:

With 10 wtpercent palladium nanoparticles decorated on Montmorillonite K₁₀; In water; at 20 ℃; for 2h;

DOI:10.1002/aoc.4192

Reference yield: 92.0%

p-nitrobenzene iodide (636-98-6) + p-tert-butylphenylboronic acid (123324-71-0) → 4'-tert-butyl-4-nitrobiphenyl (279242-11-4)

Guidance literature:

With C₃₃H₄₈Cl₂N₄O₉Pd; oxygen; potassium carbonate; In water; at 80 ℃;

DOI:10.1039/c5cy00013k

upstream raw materials:

para-nitrophenyl bromide

1-bromo-4-tert-butylbenzene

p-tert-butylphenylboronic acid

p-nitrobenzene iodide

Downstream raw materials:

4'-tert-butyl-4-hydroxylaminobiphenyl

Refernces

• 1、 ?zdemir, ?smail,Akko?, Mitat,Alt?n, Serdar,Bu?day, Nesrin,Ya?ar, Sedat. "Highly Active Fe3O4@SBA-15@NHC-Pd Catalyst for Suzuki–Miyaura Cross-Coupling Reaction". . . Retrieved 2021/08/03.
• 2、 Akko?, Mitat,Bu?day, Nesrin,Alt?n, Serdar,Kiraz, Nadir,Ya?ar, Sedat,?zdemir, ?smail. "N-heterocyclic carbene Pd(II) complex supported on Fe3O4@SiO2: Highly active, reusable and magnetically separable catalyst for Suzuki-Miyaura cross-coupling reactions in aqueous media". . . Retrieved 2021/05/05.