5-Bromo-2-fluoro-3-methylbenzaldehyde

Base Information

• Chemical Name: 5-Bromo-2-fluoro-3-methylbenzaldehyde
• CAS No.: 903875-64-9
• Molecular Formula: C8H6BrFO
• Molecular Weight: 217.037
• Hs Code.: 2913000090
• DSSTox Substance ID: DTXSID60682023
• Wikidata: Q82606251
• Mol file: 903875-64-9.mol

Synonyms:5-BROMO-2-FLUORO-3-METHYLBENZALDEHYDE;903875-64-9;SCHEMBL1144801;DTXSID60682023;JKHVNWUVFDFSAZ-UHFFFAOYSA-N;AMY39802;MFCD11110261;AKOS015834361;FS-5002;5-Bromo-2-fluoro-3-methyl-benzaldehyde;CS-0153724;5-Bromo-2-fluoro-3-methylbenzaldehyde, AldrichCPR

Chemical Property of 5-Bromo-2-fluoro-3-methylbenzaldehyde

Chemical Property:

• Boiling Point: 252.0±35.0 °C(Predicted)
• PSA: 17.07000
• Density: 1.575±0.06 g/cm3(Predicted)
• LogP: 2.70910
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 215.95861
• Heavy Atom Count: 11
• Complexity: 151

Purity/Quality:

97% ^*data from raw suppliers

5-Bromo-2-fluoro-3-methylbenzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC(=C1F)C=O)Br

Technology Process of 5-Bromo-2-fluoro-3-methylbenzaldehyde

There total 3 articles about 5-Bromo-2-fluoro-3-methylbenzaldehyde 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: 92.0%

5-bromo-2-fluorotoluene (51437-00-4) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 5-bromo-2-fluoro-3-methylbenzaldehyde (903875-64-9)

Guidance literature:

5-bromo-2-fluorotoluene; With lithium diisopropyl amide; In tetrahydrofuran; at -78 ℃;

N,N-dimethyl-formamide; In tetrahydrofuran;

DOI:10.1016/j.bmcl.2008.08.064

Reference yield:

N,N-dimethyl-formamide (68-12-2,33513-42-7) → 5-bromo-2-fluoro-3-methylbenzaldehyde (903875-64-9)

Guidance literature:

5-bromo-2-fluorotoluene; With lithium diisopropyl amide; In tetrahydrofuran; for 1h; Cooling with acetone-dry ice;

N,N-dimethyl-formamide; In tetrahydrofuran; at 20 ℃; for 3h;

Reference yield:

5-bromo-2-fluorotoluene (51437-00-4) + diisopropylamine (108-18-9) → 5-bromo-2-fluoro-3-methylbenzaldehyde (903875-64-9)

Guidance literature:

With hydrogenchloride; n-butyllithium; In tetrahydrofuran; hexane; N,N-dimethyl-formamide;

upstream raw materials:

N,N-dimethyl-formamide

5-bromo-2-fluorotoluene

diisopropylamine

Downstream raw materials:

5-bromo-2-fluoro-3-methylbenzonitrile