3-(Dimethylamino)-2-(2-nitrophenyl)acrylaldehyde

Base Information

• Chemical Name: 3-(Dimethylamino)-2-(2-nitrophenyl)acrylaldehyde
• CAS No.: 53868-36-3
• Molecular Formula: C11H12 N2 O3
• Molecular Weight: 220.22
• Hs Code.: 2922399090
• DSSTox Substance ID: DTXSID00380374
• Wikidata: Q82170577
• Mol file: 53868-36-3.mol

Synonyms:3-(dimethylamino)-2-(2-nitrophenyl)acrylaldehyde;53868-36-3;(Z)-3-(dimethylamino)-2-(2-nitrophenyl)prop-2-enal;3-(Dimethylamino)-2-(2-nitrophenyl)propenal;(2Z)-3-(dimethylamino)-2-(2-nitrophenyl)prop-2-enal;DTXSID00380374;MFCD00052674;AKOS025117125

Chemical Property of 3-(Dimethylamino)-2-(2-nitrophenyl)acrylaldehyde

Chemical Property:

• Vapor Pressure: 1.97E-09mmHg at 25°C
• Melting Point: 119 °C
• Boiling Point: 481.6°Cat760mmHg
• Flash Point: 245°C
• PSA: 66.13000
• Density: 1.202g/cm³
• LogP: 2.21940
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 220.08479225
• Heavy Atom Count: 16
• Complexity: 294

Purity/Quality:

99%, ^*data from raw suppliers

3-(Dimethylamino)-2-(2-nitrophenyl)acrylaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-(Dimethylamino)-2-(2-nitrophenyl)acrylaldehyde

There total 2 articles about 3-(Dimethylamino)-2-(2-nitrophenyl)acrylaldehyde 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:

1-methyl-2-nitrobenzene (88-72-2) + N,N-dimethyl-formamide dimethyl acetal (4637-24-5) → 3-(dimethylamino)-2-(2-nitrophenyl)acrylaldehyde (53868-36-3,85907-57-9)

Guidance literature:

With sodium hydroxide; trichlorophosphate; In N-methyl-acetamide; water;

Reference yield:

→ 3-(dimethylamino)-2-(2-nitrophenyl)acrylaldehyde (53868-36-3,85907-57-9)

Guidance literature:

aus 2-Nitrotoluol (1a), 1) N,N-Dimethylformamiddimethylacetal, N,N-Dimethylformamid <-> 2a>, 2) POCl3, N,N-Dimethylformamid;

DOI:10.1021/jo01336a001

Reference yield: 18.0%

3-(dimethylamino)-2-(2-nitrophenyl)acrylaldehyde (53868-36-3,85907-57-9) → 5-(2-Nitro-phenyl)-pyrimidin-2-ol (548763-58-2)

Guidance literature:

With hydrogenchloride; urea; In ethanol;

upstream raw materials:

1-methyl-2-nitrobenzene

N,N-dimethyl-formamide dimethyl acetal

Downstream raw materials:

5-(2-Nitro-phenyl)-pyrimidin-2-ol

1-methyl-4-(2-nitrophenyl)-1H-pyrazole

4-(2-nitrophenyl)isoxazole

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