2-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde

Base Information

• Chemical Name: 2-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde
• CAS No.: 503176-50-9
• Molecular Formula: C13H16BFO3
• Molecular Weight: 250.078
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID30682217
• Wikidata: Q82606523
• Mol file: 503176-50-9.mol

Synonyms:503176-50-9;2-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde;3-Fluoro-4-formylphenylboronic acid pinacol ester;MFCD16036135;SCHEMBL16041705;DTXSID30682217;IIFHCQXSBTZOCF-UHFFFAOYSA-N;AMY29883;BCP21939;YXC77569;Methyl-2-aminoquinoline-6-carboxylate;AKOS016008605;MB14813;DS-18083;SY025299;CS-0029527;Y10591;EN300-1706240;2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl)benzaldehyde;2-FLUORO-4-(TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZALDEHYDE

Chemical Property of 2-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde

Chemical Property:

• PSA: 35.53000
• LogP: 1.93740
• Storage Temp.: Room temperature.
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 250.1176527
• Heavy Atom Count: 18
• Complexity: 316

Purity/Quality:

97% ^*data from raw suppliers

3-Fluoro-4-formylphenylboronicacidpinacolester ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)C=O)F

Technology Process of 2-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde

There total 2 articles about 2-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde 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: 96.0%

4-bromo-2-fluorobenzaldehyde (57848-46-1) + bis(pinacol)diborane (73183-34-3) → 2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl)benzaldehyde (503176-50-9)

Guidance literature:

With 1,1'-bis-(diphenylphosphino)ferrocene; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium acetate; In 1,4-dioxane; at 85 ℃; for 13h; Inert atmosphere;

Reference yield: 82.0%

3-fluoro-4-formylphenylboronic acid (248270-25-9) + 2,3-dimethyl-2,3-butane diol (76-09-5) → 2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl)benzaldehyde (503176-50-9)

Guidance literature:

In toluene; for 8h; Reflux;

DOI:10.1016/j.jorganchem.2009.07.009

Reference yield: 90.0%

2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl)benzaldehyde (503176-50-9) + (S)-5-(1-((4-(5-bromopyrimidin-2-yl)morpholine-2-yl)methyl)-1H-[1,2,3]triazolo[4,5-b]pyrazin-6-yl)-2-fluorobenzonitrile → (S)-2-fluoro-5-(1-((4-(5-(3-fluoro-4-formylphenyl)pyrimidin-2-yl)morpholin-2-yl)methyl)-1H-[1,2,3]triazolo[4,5-b]pyrazin-6-yl)benzonitrile

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; sodium carbonate; In 1,4-dioxane; at 20 - 105 ℃; for 3.16667h; Inert atmosphere;

upstream raw materials:

3-fluoro-4-formylphenylboronic acid

2,3-dimethyl-2,3-butane diol

4-bromo-2-fluorobenzaldehyde

bis(pinacol)diborane

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