2-[Hydroxy(4-nitrophenyl)methyl]cyclohepta-2,4,6-trien-1-one

Base Information

• Chemical Name: 2-[Hydroxy(4-nitrophenyl)methyl]cyclohepta-2,4,6-trien-1-one
• CAS No.: 105769-71-9
• Molecular Formula: C14H11NO4
• Molecular Weight: 257.246
• DSSTox Substance ID: DTXSID90544948
• Nikkaji Number: J504.807I

Synonyms:105769-71-9;DTXSID90544948;2-[Hydroxy(4-nitrophenyl)methyl]cyclohepta-2,4,6-trien-1-one;2-(HYDROXY(4-NITROPHENYL)METHYL)TROPONE;2-[hydroxy(4-nitrophenyl)methyl]-2,4,6-cycloheptatrien-1-one;2-[hydroxy-(4-nitrophenyl)-methyl]-cyclohepta-2,4,6-trien-1-one

Chemical Property of 2-[Hydroxy(4-nitrophenyl)methyl]cyclohepta-2,4,6-trien-1-one

Chemical Property:

• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 257.06880783
• Heavy Atom Count: 19
• Complexity: 451

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-[Hydroxy(4-nitrophenyl)methyl]cyclohepta-2,4,6-trien-1-one

There total 2 articles about 2-[Hydroxy(4-nitrophenyl)methyl]cyclohepta-2,4,6-trien-1-one 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: 72.0%

2-(p-nitrobenzyloxy)tropone (112126-66-6) → 2-tropone (105769-71-9)

Guidance literature:

With sodium hydride; In N,N,N,N,N,N-hexamethylphosphoric triamide; for 0.0833333h; Product distribution; Ambient temperature; various solvents, temperature, reagents;

DOI:10.1246/bcsj.60.1429

Reference yield: 69.0%

4-nitrobenzyl chloride (100-14-1) + potassium tropolonato (42887-09-2) → 2-(p-nitrobenzyloxy)tropone (112126-66-6) + 2-tropone (105769-71-9) + 3-(p-nitrobenzyl)tropolone (105769-70-8)

Guidance literature:

In N,N,N,N,N,N-hexamethylphosphoric triamide; at 50 ℃; for 10h;

DOI:10.1246/bcsj.60.1429

Reference yield: 72.0%

2-tropone (105769-71-9) → 2-(4-Nitro-benzoyl)-cyclohepta-2,4,6-trienone (105769-72-0)

Guidance literature:

With dipyridinium dichromate; Celite; In dichloromethane; for 5h; Ambient temperature;

DOI:10.1246/bcsj.60.1429

upstream raw materials:

4-nitrobenzyl chloride

potassium tropolonato

2-(p-nitrobenzyloxy)tropone

Downstream raw materials:

2-(4-Nitro-benzoyl)-cyclohepta-2,4,6-trienone

6-(p-nitrophenyl)-5,7,11a,12-tetrahydrocyclohepta(1,5)-benzodiazepin-7-one

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 105769-71-9 2,4,6-Cycloheptatrien-1-one, 2-[hydroxy(4-nitrophenyl)methyl]-

Send

Send

Metric Ton KG G Pound L ML

Send

Send