2-(3-Nitrophenyl)acetaldehyde

Base Information

• Chemical Name: 2-(3-Nitrophenyl)acetaldehyde
• CAS No.: 66146-33-6
• Molecular Formula: C8H7NO3
• Molecular Weight: 165.148
• Hs Code.: 2913000090
• DSSTox Substance ID: DTXSID40468064
• Nikkaji Number: J2.444.300K
• Mol file: 66146-33-6.mol

Synonyms:2-(3-nitrophenyl)acetaldehyde;66146-33-6;(3-nitrophenyl)acetaldehyde;3-nitroBenzeneacetaldehyde;(3-NITRO-PHENYL)-ACETALDEHYDE;3-Nitrophenylacetaldehyde;3-nitrophenyl-acetaldehyde;SCHEMBL287236;DTXSID40468064;KBHVOPHKSRVNIV-UHFFFAOYSA-N;MFCD06738719;AKOS006229518;CS-0269043;FT-0690396;EN300-133614;A835349

Chemical Property of 2-(3-Nitrophenyl)acetaldehyde

Chemical Property:

• Boiling Point: 311.931 °C at 760 mmHg
• Flash Point: 156.78 °C
• PSA: 62.89000
• Density: 1.257 g/cm³
• LogP: 1.85940
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 165.042593085
• Heavy Atom Count: 12
• Complexity: 176

Purity/Quality:

98%min ^*data from raw suppliers

(3-Nitro-Phenyl)-acetaldehyde 95 ^*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-])CC=O

Technology Process of 2-(3-Nitrophenyl)acetaldehyde

There total 23 articles about 2-(3-Nitrophenyl)acetaldehyde 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: 95.0%

1-(2-methoxyethenyl)-3-nitrobenzene (942913-60-2) → 2-(3-nitrophenyl)acetaldehyde (66146-33-6)

Guidance literature:

With hydrogenchloride; water; In tetrahydrofuran; at 80 ℃;

Reference yield: 90.0%

(E)-1-(2-methoxyvinyl)-3-nitrobenzene (163487-07-8) → 2-(3-nitrophenyl)acetaldehyde (66146-33-6)

Guidance literature:

With hydrogenchloride; In tetrahydrofuran; water; at 100 ℃; for 2h;

Reference yield: 56.0%

1-nitro-3-vinyl-benzene (586-39-0,51209-60-0) → 2-(3-nitrophenyl)acetaldehyde (66146-33-6)

Guidance literature:

With maleiimide; dichloro bis(acetonitrile) palladium(II); water; oxygen; copper(l) chloride; In tert-Amyl alcohol; at 40 ℃; for 0.8h; under 760.051 Torr;

DOI:10.1039/c5cc06746d

upstream raw materials:

3-nitrochalcone

(E)-3-nitrochalcone

phenylacetaldehyde

sulfuric acid

Downstream raw materials:

4-[(E)-2-(3-Nitro-phenyl)-vinyl]-morpholine

1-methyl-3-nitrobenzene

3-nitro-benzaldehyde

3,3'-dinitrobibenzyl