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

Base Information

• Chemical Name: 2-Fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde
• CAS No.: 443776-94-1
• Molecular Formula: C13H16BFO3
• Molecular Weight: 250.078
• Hs Code.: 2931900090
• DSSTox Substance ID: DTXSID20465859
• Nikkaji Number: J1.829.888K
• Wikidata: Q82292132
• Mol file: 443776-94-1.mol

Synonyms:443776-94-1;2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde;4-Fluoro-3-formylphenylboronic acid pinacol ester;4-Fluoro-3-formylphenylboronic acid, pinacol ester;2-fluoro-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzaldehyde;MFCD11846346;(4-FLUORO-3-FORMYLPHENYL)BORONIC ACID PINACOL ESTER;4-Fluoro-3-formylbenzeneboronic acid pinacol ester;SCHEMBL4498280;DTXSID20465859;RRKWTJBMMUWQDK-UHFFFAOYSA-N;AKOS015999532;AS-43584;SY286406;CS-0097045;EN300-7384104;A872543;2-FLUORO-5-(TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZALDEHYDE

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

Chemical Property:

• PSA: 35.53000
• LogP: 1.93740
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• 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

4-Fluoro-3-formylphenylboronicacid,pinacolester ^*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)F)C=O

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

There total 3 articles about 2-Fluoro-5-(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: 100.0%

2,3-dimethyl-2,3-butane diol (76-09-5) + (4-fluoro-3-formylphenyl)boronic acid (374538-01-9) → 2-fluoro-5-(4,4,5,5-tetramethyl[1,3,2]dioxaborolan-2-yl)benzaldehyde (443776-94-1)

Guidance literature:

With 4 A molecular sieve; In tetrahydrofuran; at 20 ℃; for 16h;

DOI:10.1055/s-2002-35229

Reference yield: 83.0%

3-dibromomethyl-4-fluorobenzeneboronic acid pinacol ester (1001200-45-8) → 2-fluoro-5-(4,4,5,5-tetramethyl[1,3,2]dioxaborolan-2-yl)benzaldehyde (443776-94-1)

Guidance literature:

3-dibromomethyl-4-fluorobenzeneboronic acid pinacol ester; With pyridine; at 100 ℃; for 1.5h;

With water; Further stages.;

DOI:10.1016/j.tet.2007.11.030

Reference yield: 82.0%

5-bromo-2-fluorobenzaldehyde (93777-26-5) + bis(pinacol)diborane (73183-34-3) → 2-fluoro-5-(4,4,5,5-tetramethyl[1,3,2]dioxaborolan-2-yl)benzaldehyde (443776-94-1)

Guidance literature:

With potassium acetate; dimethyl sulfoxide; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; at 80 ℃;

DOI:10.1021/jo060218p

upstream raw materials:

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

(4-fluoro-3-formylphenyl)boronic acid

5-bromo-2-fluorobenzaldehyde

bis(pinacol)diborane

Downstream raw materials:

2-phenoxy-5-(4,4,5,5-tetramethyl[1,3,2]dioxaborolan-2-yl)benzaldehyde

[2-fluoro-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-methanol

1-[2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanamine

2-[2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl]isoindoline-1,3-dione

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