3-(4-Nitro-phenyl)-propionaldehyde

Base Information

• Chemical Name: 3-(4-Nitro-phenyl)-propionaldehyde
• CAS No.: 80793-24-4
• Molecular Formula: C9H9NO3
• Molecular Weight: 179.175
• DSSTox Substance ID: DTXSID60461557
• Nikkaji Number: J1.752.032F
• Wikidata: Q82285924
• Mol file: 80793-24-4.mol

Synonyms:3-(4-nitrophenyl)propanal;80793-24-4;3-(4-NITRO-PHENYL)-PROPIONALDEHYDE;BENZENEPROPANAL, 4-NITRO-;3-(4-nitrophenyl)-propionaldehyde;SCHEMBL671515;DTXSID60461557;XEVAHIITWCRKEB-UHFFFAOYSA-N;AKOS006290568;AB49244;FT-0691918;2-PROPENAL,3-(4-CHLOROPHENYL)-,(2E);EN300-1848888

Chemical Property of 3-(4-Nitro-phenyl)-propionaldehyde

Chemical Property:

• Vapor Pressure: 0.000627mmHg at 25°C
• Melting Point: 108 °C
• Boiling Point: 309.7°C at 760 mmHg
• Flash Point: 148.1°C
• PSA: 62.89000
• Density: 1.211g/cm³
• LogP: 2.24950
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 179.058243149
• Heavy Atom Count: 13
• Complexity: 180

Purity/Quality:

98%min ^*data from raw suppliers

3-(4-NITRO-PHENYL)-PROPIONALDEHYDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CCC=O)[N+](=O)[O-]

Technology Process of 3-(4-Nitro-phenyl)-propionaldehyde

There total 20 articles about 3-(4-Nitro-phenyl)-propionaldehyde 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%

3-(4-nitrophenyl)-2-propenal (1734-79-8) → 3-(4-nitrophenyl)propanal (80793-24-4)

Guidance literature:

With tri-n-butyl-tin hydride; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In tetrahydrofuran; Ambient temperature;

DOI:10.1016/S0040-4039(00)86866-5

Reference yield: 96.0%

3-(4-nitrophenyl)-propenal (49678-08-2) → 3-(4-nitrophenyl)propanal (80793-24-4)

Guidance literature:

With diethyl 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate; dibenzylammonium trifluoroacetate salt; In tetrahydrofuran; at 20 ℃; for 5h;

DOI:10.1002/anie.200461816

Reference yield: 96.0%

4-nitrostyrene (100-13-0) + carbon monoxide (201230-82-2) → 2-(4-nitrophenyl)propionaldehyde (30611-16-6) + 3-(4-nitrophenyl)propanal (80793-24-4)

Guidance literature:

With chloro(1,5-cyclooctadiene)rhodium(I) dimer; hydrogen; sodium 4-dodecylbenzenesulfonate; Sodium; 2-[bis-(2-diphenylphosphanyl-ethyl)-carbamoyl]-benzenesulfonate; In water; toluene; at 60 ℃; under 30003 Torr;

DOI:10.1016/j.cclet.2021.07.068

upstream raw materials:

3-(4-nitrophenyl)propionic acid

4-nitrostyrene

carbon monoxide

3-(4-nitrophenyl)-2-propenal

Downstream raw materials:

3-(2-aminoethyl)-5-(3-(4-nitrophenyl)propylidene)thiazolidine-2,4-dione

2-(4-nitrobenzyl)prop-2-en-1-ol

Refernces

• 1、 Santi, Nicolò,Morrill, Louis C.,?widerek, Katarzyna,Moliner, Vicent,Luk, Louis Y. P.. "Transfer hydrogenations catalyzed by streptavidin-hosted secondary amine organocatalysts". supporting information. p. 1919 - 1922. Retrieved 2021/03/02.
• 2、 Kandrnálová, Markéta,?indelá?, Vladimír. "Cucurbiturils Monofunctionalized on the Methylene Bridge and Their Host-Guest Properties". supporting information. p. 4733 - 4736. Retrieved 2021/09/10.