Benzeneacetaldehyde, alpha-[(dimethylamino)methylene]-4-fluoro-, (alphaZ)-

Base Information

• Chemical Name: Benzeneacetaldehyde, alpha-[(dimethylamino)methylene]-4-fluoro-, (alphaZ)-
• CAS No.: 163563-22-2
• Molecular Formula: C₁₁H₁₂FNO
• Molecular Weight: 193.221
• DSSTox Substance ID: DTXSID001180811

Synonyms:163563-22-2;Benzeneacetaldehyde, alpha-[(dimethylamino)methylene]-4-fluoro-, (alphaZ)-;SCHEMBL11067070;DTXSID001180811;(Z)-3-(Dimethylamino)-2-(4-fluorophenyl)prop-2-enal;(alphaZ)-alpha-[(Dimethylamino)methylene]-4-fluorobenzeneacetaldehyde

Chemical Property of Benzeneacetaldehyde, alpha-[(dimethylamino)methylene]-4-fluoro-, (alphaZ)-

Chemical Property:

• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 193.090292168
• Heavy Atom Count: 14
• Complexity: 217

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CN(C)C=C(C=O)C1=CC=C(C=C1)F
• Isomeric SMILES: CN(C)/C=C(\C=O)/C1=CC=C(C=C1)F

Technology Process of Benzeneacetaldehyde, alpha-[(dimethylamino)methylene]-4-fluoro-, (alphaZ)-

There total 3 articles about Benzeneacetaldehyde, alpha-[(dimethylamino)methylene]-4-fluoro-, (alphaZ)- 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: 68.0%

N,N-dimethyl-formamide (68-12-2,33513-42-7) + p-Fluorophenylacetic acid (405-50-5) → (Z)-2-(4'-fluorophenyl)-3-N,N-dimethylaminopropenal (163563-22-2)

Guidance literature:

N,N-dimethyl-formamide; With trichlorophosphate; at 0 ℃; for 0.0833333h;

p-Fluorophenylacetic acid; at 0 - 70 ℃;

DOI:10.1016/j.bmc.2003.11.026

Reference yield:

[(Z)-3-Dimethylamino-2-(4-fluoro-phenyl)-allylidene]-dimethyl-ammonium → (Z)-2-(4'-fluorophenyl)-3-N,N-dimethylaminopropenal (163563-22-2)

Guidance literature:

With potassium carbonate; In ethanol; toluene; for 1.5h; Yield given; Heating;

DOI:10.1021/jo00117a029

Reference yield:

2-(4-Chlorophenyl)-3-(dimethylamino)-2-propenal (85907-66-0) → (Z)-2-(4'-fluorophenyl)-3-N,N-dimethylaminopropenal (163563-22-2) + 2-(4-Bromophenyl)-3-(dimethylamino)-2-propenal (85907-67-1)

Guidance literature:

upstream raw materials:

N,N-dimethyl-formamide

p-Fluorophenylacetic acid

2-(4-Chlorophenyl)-3-(dimethylamino)-2-propenal

Downstream raw materials:

(Z)-2-(4'-nitrophenyl)-3-N,N-dimethylaminopropenal

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