2,4-Dihydroxy-5-nitrobenzaldehyde

Base Information

• Chemical Name: 2,4-Dihydroxy-5-nitrobenzaldehyde
• CAS No.: 53844-98-7
• Molecular Formula: C7H5NO5
• Molecular Weight: 183.12
• Hs Code.: 2913000090
• DSSTox Substance ID: DTXSID40352772
• Wikidata: Q82130105
• Mol file: 53844-98-7.mol

Synonyms:2,4-Dihydroxy-5-nitrobenzaldehyde;53844-98-7;2,4-dihydroxy-5-nitro-benzaldehyde;EC-000.1812;SCHEMBL1607530;DTXSID40352772;MWDICCJVJOMHSI-UHFFFAOYSA-N;MFCD06009697;STL416925;AKOS000273766;CS-0206918

Chemical Property of 2,4-Dihydroxy-5-nitrobenzaldehyde

Chemical Property:

• Vapor Pressure: 1.01E-06mmHg at 25°C
• Melting Point: 146-147 °C
• Refractive Index: 1.718
• Boiling Point: 392.5°Cat760mmHg
• PKA: 5.06±0.27(Predicted)
• Flash Point: 180.9°C
• PSA: 103.35000
• Density: 1.667g/cm³
• LogP: 1.34170
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 183.01677226
• Heavy Atom Count: 13
• Complexity: 213

Purity/Quality:

99%min ^*data from raw suppliers

2,4-Dihydroxy-5-nitrobenzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2,4-Dihydroxy-5-nitrobenzaldehyde

There total 4 articles about 2,4-Dihydroxy-5-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: 88.0%

2,4-Dihydroxybenzaldehyde (95-01-2) → 2,4-dihydroxy-5-nitrobenzaldehyde (53844-98-7)

Guidance literature:

With nitric acid; acetic acid; at 20 ℃; for 2h; Cooling with ice;

Reference yield:

2,4-dimethoxy-5-nitrobenzaldehyde (6468-19-5) → 2,4-dihydroxy-5-nitrobenzaldehyde (53844-98-7)

Guidance literature:

With sodium thiomethoxide; In N,N-dimethyl acetamide; at 80 ℃; for 26h;

Reference yield:

5-formyl-2,4-dihydroxybenzoic acid (873974-93-7) → 2,4-dihydroxy-5-nitrobenzaldehyde (53844-98-7) + 2,4-dihydroxy-3,5-dinitro-benzoic acid (22604-84-8)

Guidance literature:

With sulfuric acid; nitric acid;

DOI:10.1007/BF03171061

upstream raw materials:

5-formyl-2,4-dihydroxybenzoic acid

2,4-Dihydroxybenzaldehyde

sulfuric acid

nitric acid

Downstream raw materials:

2,4-dimethoxy-5-nitrobenzaldehyde

Refernces

• 1、 -. "Nitrophenyl ether compounds, and preparation methods, pharmaceutical compositions and application thereof". Paragraph 0230-0234. . Retrieved 2020/06/09.
• 2、 Madala, Nagaraju,Ghanta, Venkata Rao,Vinnakota, Srilalitha,Mendu, Narender,Ingle, Arun B.,Ethiraj, Krishna,Sharma, Vishal. "Total synthesis of Carpatamides A–D". supporting information. p. 2708 - 2710. Retrieved 2018/06/20.