4-(3-Nitrophenyl)benzaldehyde

Base Information

• Chemical Name: 4-(3-Nitrophenyl)benzaldehyde
• CAS No.: 411206-92-3
• Molecular Formula: C₁₃H₉NO₃
• Molecular Weight: 227.219
• Hs Code.: 2913000090
• DSSTox Substance ID: DTXSID40458364
• Nikkaji Number: J1.646.501A
• Wikidata: Q82281593
• Mol file: 411206-92-3.mol

Synonyms:4-(3-nitrophenyl)benzaldehyde;411206-92-3;3'-Nitro[1,1'-biphenyl]-4-carbaldehyde;3'-Nitrobiphenyl-4-carbaldehyde;MFCD06803015;3'-Nitro-[1,1'-biphenyl]-4-carbaldehyde;3'-Nitro-biphenyl-4-carbaldehyde;3-Nitro-4'-formylbiphenyl;SCHEMBL2701456;DTXSID40458364;WVNUEQVVKNIIMZ-UHFFFAOYSA-N;AKOS004117172;3'-Nitro-1,1'-biphenyl-4-carbaldehyde;CS-0207385;FT-0716162;F74806;A825439;10Z-0703;J-512954

Chemical Property of 4-(3-Nitrophenyl)benzaldehyde

Chemical Property:

• PSA: 62.89000
• LogP: 3.59750
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 227.058243149
• Heavy Atom Count: 17
• Complexity: 279

Purity/Quality:

97% ^*data from raw suppliers

3'-Nitro-[1,1'-biphenyl]-4-carboxaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-(3-Nitrophenyl)benzaldehyde

There total 12 articles about 4-(3-Nitrophenyl)benzaldehyde 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: 97.0%

m-nitrobenzene boronic acid (13331-27-6) + 4-bromo-benzaldehyde (1122-91-4) → 3'-nitro-[1,1'-biphenyl]-4-carboxaldehyde (411206-92-3)

Guidance literature:

With C₁₈H₁₇Cl₂N₃Pd; caesium carbonate; In water; N,N-dimethyl-formamide; at 100 ℃; for 5h;

DOI:10.1002/ejic.200800154

Reference yield: 95.0%

m-nitrobromobenzene (585-79-5) + 4-formylphenylboronic acid, (87199-17-5) → 3'-nitro-[1,1'-biphenyl]-4-carboxaldehyde (411206-92-3)

Guidance literature:

With potassium carbonate; In water; N,N-dimethyl-formamide; for 0.0833333h; Irradiation;

DOI:10.2174/1570178616666190319160151

Reference yield: 92.0%

4-iodo-benzyl alcohol (18282-51-4) + m-nitrobenzene boronic acid (13331-27-6) → 3'-nitro-[1,1'-biphenyl]-4-carboxaldehyde (411206-92-3)

Guidance literature:

With dihydrogen peroxide; caesium carbonate; In ethanol; acetonitrile; at 80 ℃; for 1.25h;

DOI:10.1021/acscatal.9b01197

upstream raw materials:

4-bromo-benzaldehyde

m-nitrobromobenzene

4-formylphenylboronic acid,

m-nitrobenzene boronic acid

Downstream raw materials:

methyl (2S,5E)-2-(tritylamino)-4-oxo-6-(3′-nitrobiphen-4-yl)-hex-5-enoate

methyl (2S,6R)-4-oxo-6-(3′-nitrobiphen-4-yl)piperidine-2-carboxylate