[4-[(5-chloro-2-oxo-1H-indol-3-ylidene)methyl]-2-methoxyphenyl] 4-fluorobenzoate

Base Information

• Chemical Name: [4-[(5-chloro-2-oxo-1H-indol-3-ylidene)methyl]-2-methoxyphenyl] 4-fluorobenzoate
• CAS No.: 5651-80-9
• Molecular Formula: C23H15ClFNO4
• Molecular Weight: 285.213
• DSSTox Substance ID: DTXSID20971960

Synonyms:5651-80-9;DTXSID20971960;4-[(5-Chloro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2-methoxyphenyl 4-fluorobenzoate

Chemical Property of [4-[(5-chloro-2-oxo-1H-indol-3-ylidene)methyl]-2-methoxyphenyl] 4-fluorobenzoate

Chemical Property:

• Vapor Pressure: 3.77E-18mmHg at 25°C
• Boiling Point: 676.3°C at 760 mmHg
• Flash Point: 362.8°C
• Density: 1.401g/cm³
• XLogP3: 5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 423.0673638
• Heavy Atom Count: 30
• Complexity: 678

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=CC(=C1)C=C2C3=C(C=CC(=C3)Cl)NC2=O)OC(=O)C4=CC=C(C=C4)F

Technology Process of [4-[(5-chloro-2-oxo-1H-indol-3-ylidene)methyl]-2-methoxyphenyl] 4-fluorobenzoate

There total 4 articles about [4-[(5-chloro-2-oxo-1H-indol-3-ylidene)methyl]-2-methoxyphenyl] 4-fluorobenzoate 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: 70.0%

3-tert-butylphenyol (585-34-2) → 3-tert-Butyl-2,4,6-trinitro-phenol (5651-80-9)

Guidance literature:

With sodium hydroxide; nitric acid; sodium nitrite; In ice-water; water;

Reference yield:

3-tert-butyl-1-methoxybenzene (33733-83-4) → 3-tert-Butyl-2,4,6-trinitro-phenol (5651-80-9) + 3-tert-butyl-2,4,6-trinitro-anisole (5407-92-1)

Guidance literature:

With sulfuric acid; nitric acid;

DOI:10.1021/jo01144a011

Reference yield:

2,5-di-tert-butylphenol (5875-45-6) → 3-tert-Butyl-2,4,6-trinitro-phenol (5651-80-9)

Guidance literature:

With nitric acid;

upstream raw materials:

3-tert-butyl-1-methoxybenzene

2,5-di-tert-butylphenol

3-tert-butylphenyol

Downstream raw materials:

1-Chlor-3-t-butyl-2,4,6-trinitrobenzol

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