4-Nitro-3-(propan-2-yl)-1,1'-biphenyl

Base Information

• Chemical Name: 4-Nitro-3-(propan-2-yl)-1,1'-biphenyl
• CAS No.: 127502-68-5
• Molecular Formula: C15H15 N O2
• Molecular Weight: 241.31
• DSSTox Substance ID: DTXSID40561185
• Nikkaji Number: J1.311.614H
• Wikidata: Q82444868
• Mol file: 127502-68-5.mol

Synonyms:127502-68-5;4-Nitro-3-(propan-2-yl)-1,1'-biphenyl;1-nitro-4-phenyl-2-propan-2-ylbenzene;SCHEMBL9515026;DTXSID40561185

Chemical Property of 4-Nitro-3-(propan-2-yl)-1,1'-biphenyl

Chemical Property:

• Boiling Point: 387.4±21.0 °C(Predicted)
• PSA: 45.82000
• Density: 1.113±0.06 g/cm3(Predicted)
• LogP: 4.90840
• XLogP3: 5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 241.110278721
• Heavy Atom Count: 18
• Complexity: 279

Purity/Quality:

99% ^*data from raw suppliers

3-ISOPROPYL-4-NITROBIPHENYL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-Nitro-3-(propan-2-yl)-1,1'-biphenyl

There total 3 articles about 4-Nitro-3-(propan-2-yl)-1,1'-biphenyl 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:

1-phenyl-4-nitrobenzene (92-93-3) + isopropylmagnesium iodide (1068-56-0) → 3-isopropyl-4-nitrobiphenyl (127502-68-5) + 3,5-diisopropyl-4-nitro-biphenyl

Guidance literature:

1-phenyl-4-nitrobenzene; isopropylmagnesium iodide; In tetrahydrofuran; diethyl ether; at -70 ℃;

With 2,3-dicyano-5,6-dichloro-p-benzoquinone; In tetrahydrofuran; diethyl ether; at -40 - 20 ℃;

DOI:10.1016/S1383-5718(00)00012-7

Reference yield:

1-phenyl-4-nitrobenzene (92-93-3) + isopropylmagnesium chloride (1068-55-9) → 3-isopropyl-4-nitrobiphenyl (127502-68-5)

Guidance literature:

With 2,3-dicyano-5,6-dichloro-p-benzoquinone; Yield given. Multistep reaction; 1.) THF, -70 deg C, 1 h, 2.) THF, 20 deg C, 1 h;

DOI:10.1021/jm00114a004

Reference yield:

→ 3-isopropyl-4-nitrobiphenyl (127502-68-5)

Guidance literature:

upstream raw materials:

1-phenyl-4-nitrobenzene

isopropylmagnesium chloride

isopropylmagnesium iodide

Downstream raw materials:

2-(cyclohexylmethyl)-4-phenyl-6-isopropylphenol

3-(cyclohexylmethyl)-5-isopropyl-4-aminobiphenyl

(4R,6S)-6-(3-Cyclohexylmethyl-5-isopropyl-biphenyl-4-yloxymethyl)-4-hydroxy-tetrahydro-pyran-2-one

(4R,6S)-4-(tert-Butyl-diphenyl-silanyloxy)-6-(3-cyclohexylmethyl-5-isopropyl-biphenyl-4-yloxymethyl)-tetrahydro-pyran-2-ol