4-Amino-3-nitrobenzaldehyde

Base Information

• Chemical Name: 4-Amino-3-nitrobenzaldehyde
• CAS No.: 51818-99-6
• Molecular Formula: C7H6N2O3
• Molecular Weight: 166.136
• Hs Code.: 2922399090
• European Community (EC) Number: 835-205-1
• DSSTox Substance ID: DTXSID60531007
• Nikkaji Number: J36.352I
• Wikidata: Q82402532
• Mol file: 51818-99-6.mol

Synonyms:4-amino-3-nitrobenzaldehyde;51818-99-6;4-amino-3-nitro-benzaldehyde;3-nitro-4-aminobenzaldehyde;Benzaldehyde, 4-amino-3-nitro-;SCHEMBL2517648;SCHEMBL7888739;DTXSID60531007;IIOCECYTBZBBAL-UHFFFAOYSA-N;BCA81899;MFCD17170817;AKOS016004757;DS-17720;AM20040613;CS-0043823;C75433;EN300-124768;A871162;Z1255430149

Chemical Property of 4-Amino-3-nitrobenzaldehyde

Chemical Property:

• PSA: 88.91000
• LogP: 2.09390
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 166.03784206
• Heavy Atom Count: 12
• Complexity: 190

Purity/Quality:

98%Min ^*data from raw suppliers

4-amino-3-nitrobenzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-Amino-3-nitrobenzaldehyde

There total 13 articles about 4-Amino-3-nitrobenzaldehyde 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: 98.0%

4-acetamido-3-nitrobenzaldehyde (51818-98-5) → 4-amino-3-nitro-benzaldehyde (51818-99-6)

Guidance literature:

With hydrogenchloride; In methanol; at 80 ℃; for 8h;

DOI:10.1021/ja037944j

Reference yield: 62.0%

4-methylamino-3-nitrobenzaldehyde oxime → 4-(methylamino)-3-nitrobenzaldehyde (42564-41-0) + 4-amino-3-nitro-benzaldehyde (51818-99-6)

Guidance literature:

With dihydrogen peroxide; Cl₈TPPS₄Fe(III)Cl; In various solvent(s); at 20 ℃; for 6h; Further Variations:; Catalysts; Product distribution;

DOI:10.1016/j.tetlet.2005.02.088

Reference yield: 53.0%

4-fluoro-3-nitrobenzaldehyde (42564-51-2) → 4-amino-3-nitro-benzaldehyde (51818-99-6)

Guidance literature:

With ammonium hydroxide; In tetrahydrofuran; at 20 ℃; for 1h;

upstream raw materials:

4-acetamido-3-nitrobenzaldehyde

1-acetylamino-4-diacetoxymethyl-2-nitro-benzene

4-fluoro-3-nitrobenzaldehyde

hydrogenchloride

Downstream raw materials:

4-azido-3-nitrobenzaldehyde

5-formylbenzo[c][1,2,5]oxadiazole 1-oxide

(E)-1,3-Bis-(4-amino-3-nitro-phenyl)-propenone

2,5-dimethyl-4-phenyl-3-<1-oxo-3-(4-amino-3-nitrophenyl)-2-propenyl>furan

Refernces

• 1、 Louis, Hitler,Onyebuenyi, Izubundu B.,Odey, Joseph O.,Igbalagh, Azuaga T.,Mbonu, MaryJane T.,Eno, Ededet A.,Pembere, Anthony M. S.,Offiong, Offiong E.. "Synthesis, characterization, and theoretical studies of the photovoltaic properties of novel reactive azonitrobenzaldehyde derivatives". . p. 28433 - 28446. Retrieved 2021/09/15.
• 2、 -. "Pyrimidine derivatives as well as preparation method and medical applications thereof". Paragraph 0293; 0295; 0303-0305. . Retrieved 2017/12/27.