4-Chlorobenzaldehyde O-(4-nitrobenzoyl)oxime

Base Information

• Chemical Name: 4-Chlorobenzaldehyde O-(4-nitrobenzoyl)oxime
• CAS No.: 306732-27-4
• Molecular Formula: C₁₄H₉ClN₂O₄
• Molecular Weight: 304.689
• DSSTox Substance ID: DTXSID701256778
• Mol file: 306732-27-4.mol

Synonyms:DTXSID701256778;AKOS030253353;4-Chlorobenzaldehyde O-(4-nitrobenzoyl)oxime

Chemical Property of 4-Chlorobenzaldehyde O-(4-nitrobenzoyl)oxime

Chemical Property:

• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 304.0250845
• Heavy Atom Count: 21
• Complexity: 394

Purity/Quality:

1-[(([(4-CHLOROPHENYL)METHYLENE]AMINO)OXY)CARBONYL]-4-NITROBENZENE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC=C1C=NOC(=O)C2=CC=C(C=C2)[N+](=O)[O-])Cl

Technology Process of 4-Chlorobenzaldehyde O-(4-nitrobenzoyl)oxime

There total 2 articles about 4-Chlorobenzaldehyde O-(4-nitrobenzoyl)oxime 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: 77.5%

4-chlorobenzaldoxime (3848-36-0) + 4-nitro-benzoic acid (62-23-7) → C14H9ClN2O4 (306732-27-4)

Guidance literature:

With O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate; triethylamine; In acetonitrile; at 20 ℃; for 0.5h;

DOI:10.14233/ajchem.2014.16522

Reference yield:

O-(4-nitrobenzoyl) hydroxylamine (35657-36-4) + 4-chlorobenzaldehyde (104-88-1) → (E)-4-chlorobenzaldehyde O-(4-nitrobenzoyl)oxime (306732-27-4)

Guidance literature:

With pyrrolidine; In ethyl acetate; at 20 ℃; for 2h;

DOI:10.1021/acs.joc.6b01912

upstream raw materials:

4-chlorobenzaldoxime

4-nitro-benzoic acid

O-(4-nitrobenzoyl) hydroxylamine

4-chlorobenzaldehyde

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