5-Acetyl-2-fluorobenzaldehyde

Base Information

• Chemical Name: 5-Acetyl-2-fluorobenzaldehyde
• CAS No.: 319454-87-0
• Molecular Formula: C9H7 F O2
• Molecular Weight: 166.1490832
• DSSTox Substance ID: DTXSID70595418
• Wikidata: Q82490423
• Mol file: 319454-87-0.mol

Synonyms:5-Acetyl-2-fluorobenzaldehyde;319454-87-0;Benzaldehyde, 5-acetyl-2-fluoro- (9CI);2-fluoro-5-acetylbenzaldehyde;SCHEMBL1591300;4'-Fluoro-3'-formylacetophenone;DTXSID70595418;ZMJLHRTZAMOCHQ-UHFFFAOYSA-N;Benzaldehyde, 5-acetyl-2-fluoro-;DB-284864

Chemical Property of 5-Acetyl-2-fluorobenzaldehyde

Chemical Property:

• Boiling Point: 285.8±25.0 °C(Predicted)
• PSA: 34.14000
• Density: 1.214±0.06 g/cm3(Predicted)
• LogP: 1.84080
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 166.04300762
• Heavy Atom Count: 12
• Complexity: 191

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=CC(=C(C=C1)F)C=O

Technology Process of 5-Acetyl-2-fluorobenzaldehyde

There total 1 articles about 5-Acetyl-2-fluorobenzaldehyde 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:

N-Methoxy-N-methylacetamide (78191-00-1) + 5-bromo-2-fluorobenzaldehyde (93777-26-5) → 2-fluoro-5-acetylbenzaldehyde (319454-87-0)

Guidance literature:

5-bromo-2-fluorobenzaldehyde; With n-butyllithium; In tetrahydrofuran; hexanes; at -40 ℃; for 0.416667h;

N-Methoxy-N-methylacetamide; In tetrahydrofuran; hexanes; at -40 - 20 ℃; for 1h;

With hydrogenchloride; In tetrahydrofuran; hexanes; water; at 65 ℃;

Reference yield:

2-fluoro-5-acetylbenzaldehyde (319454-87-0) + cis-2,6-dimethylmorpholine (141-91-3,6485-45-6,6485-55-8) → cis-5-acetyl-2-(2,6-dimethylmorpholin-4-yl)benzaldehyde (679839-43-1)

Guidance literature:

With potassium carbonate; In acetonitrile; at 80 ℃;

Reference yield:

2-fluoro-5-acetylbenzaldehyde (319454-87-0) + Methyl thioglycolate (2365-48-2) → methyl 5-acetylbenzo[b]thiophene-2-carboxylate (154649-48-6)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 80 ℃; for 2h;

upstream raw materials:

N-Methoxy-N-methylacetamide

5-bromo-2-fluorobenzaldehyde

Downstream raw materials:

cis-5-acetyl-2-(2,6-dimethylmorpholin-4-yl)benzaldehyde

methyl 5-acetylbenzo[b]thiophene-2-carboxylate

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