Benzene, 1-cyclohexyl-2-nitro-

Base Information

• Chemical Name: Benzene, 1-cyclohexyl-2-nitro-
• CAS No.: 7137-56-6
• Molecular Formula: C12H15NO2
• Molecular Weight: 205.257
• NSC Number: 44833
• DSSTox Substance ID: DTXSID40221570
• Nikkaji Number: J81.335D
• Wikidata: Q83099404
• Mol file: 7137-56-6.mol

Synonyms:Benzene, 1-cyclohexyl-2-nitro-;7137-56-6;1-cyclohexyl-2-nitrobenzene;1-Nitro-2-cyclohexylbenzene;NSC44833;cyclohexylnitrobenzene;cyclohexyl-nitrobenzene;SCHEMBL7335158;DTXSID40221570;NSC 44833;NSC-44833

Chemical Property of Benzene, 1-cyclohexyl-2-nitro-

Chemical Property:

• Vapor Pressure: 0.00145mmHg at 25°C
• Melting Point: 45°C
• Refractive Index: 1.5400 (estimate)
• Boiling Point: 305.9°Cat760mmHg
• Flash Point: 131.3°C
• PSA: 45.82000
• Density: 1.124g/cm³
• LogP: 4.16570
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 205.110278721
• Heavy Atom Count: 15
• Complexity: 218

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CCC(CC1)C2=CC=CC=C2[N+](=O)[O-]

Technology Process of Benzene, 1-cyclohexyl-2-nitro-

There total 12 articles about Benzene, 1-cyclohexyl-2-nitro- 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: 74.0%

o-nitroiodobenzene (609-73-4) + cyclohexylmagnesium bromide (931-50-0) → 1-cyclohexyl-2-nitrobenzene (7137-56-6)

Guidance literature:

cyclohexylmagnesium bromide; With zinc(II) chloride; In tetrahydrofuran; at 20 ℃; for 1h;

o-nitroiodobenzene; dichloro bis(acetonitrile) palladium(II); In tetrahydrofuran; at 20 ℃; for 2h; Further stages.;

DOI:10.1021/ol701995t

Reference yield:

1-phenyl-1-cyclohexane (827-52-1,5379-26-0) → 4-cyclohexylnitrobenzene (5458-48-0) + 1-cyclohexyl-2-nitrobenzene (7137-56-6)

Guidance literature:

With nitric acid; acetic acid; at 0 ℃;

Reference yield:

1-phenyl-1-cyclohexane (827-52-1,5379-26-0) + nitric acid (7697-37-2,78989-43-2) + acetic acid (64-19-7,77671-22-8) → 4-cyclohexylnitrobenzene (5458-48-0) + 1-cyclohexyl-2-nitrobenzene (7137-56-6)

Guidance literature:

upstream raw materials:

1-phenyl-1-cyclohexane

4-cyclohexyl-3-nitroaniline

nitric acid

acetic acid

Downstream raw materials:

benzoic acid-(2-cyclohexyl-anilide)

N-(20cyclohexylphenyl)acetamide

1-iodo-2-cyclohexylbenzene

4-cyclohexyl-m-phenylenediamine

Refernces

• 1、 Luo, Xiancai,Zhang, Heng,Duan, Hui,Liu, Qiang,Zhu, Lizheng,Zhang, Tony,Lei, Aiwen. "Superior effect of a π-acceptor ligand (phosphine-electron-deficient olefin ligand) in the Negishi coupling involving alkylzinc reagents". . p. 4571 - 4574. Retrieved 2008/03/12.