1-Tert-butyl-4-(2-nitroethenyl)benzene

Base Information

• Chemical Name: 1-Tert-butyl-4-(2-nitroethenyl)benzene
• CAS No.: 1056474-04-4
• Molecular Formula: C₁₂H₁₅NO₂
• Molecular Weight: 205.257
• European Community (EC) Number: 960-406-7
• Nikkaji Number: J3.558.639C
• Mol file: 1056474-04-4.mol

Synonyms:1-tert-butyl-4-(2-nitroethenyl)benzene;1056474-04-4;1-tert-butyl-4-[(E)-2-nitroethenyl]benzene;SCHEMBL8638549;CCG-249183;EN300-116332;EN300-7438170

Chemical Property of 1-Tert-butyl-4-(2-nitroethenyl)benzene

Chemical Property:

• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 205.110278721
• Heavy Atom Count: 15
• Complexity: 239

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 1-Tert-butyl-4-(2-nitroethenyl)benzene

There total 5 articles about 1-Tert-butyl-4-(2-nitroethenyl)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: 92.0%

4-tert-Butylstyrene (1746-23-2,26009-55-2) → (E)-1-(tert-butyl)-4-(2-nitrovinyl)benzene (1056474-04-4)

Guidance literature:

With 2,2,6,6-tetramethyl-piperidine-N-oxyl; dipotassium peroxodisulfate; sodium nitrite; In 1,2-dichloro-ethane; at 100 ℃; for 24h; stereoselective reaction; Sealed tube;

DOI:10.1016/j.tetlet.2015.11.064

Reference yield: 80.0%

nitromethane (75-52-5) + 4-tert-Butylbenzaldehyde (939-97-9) → (E)-1-(tert-butyl)-4-(2-nitrovinyl)benzene (1056474-04-4)

Guidance literature:

With sodium hydroxide; In methanol; at -5 ℃; for 1h;

DOI:10.1021/acs.orglett.0c01714

Reference yield: 58.0%

→ (E)-1-(tert-butyl)-4-(2-nitrovinyl)benzene (1056474-04-4)

Guidance literature:

With tert.-butylhydroperoxide; ammonium iodide; meso-tetraphenylporphyrin iron(III) chloride; In acetonitrile; at 120 ℃; for 6h; Sealed tube;

upstream raw materials:

4-tert-Butylstyrene

nitromethane

4-tert-Butylbenzaldehyde

Downstream raw materials:

C₁₂H₁₅NO₂

(E)-3-(4-(tert-butyl)phenyl)-1-(p-tolyl)prop-2-en-1-one