2,6-Dichloro-4-fluorobenzaldehyde

Base Information

• Chemical Name: 2,6-Dichloro-4-fluorobenzaldehyde
• CAS No.: 1182709-86-9
• Molecular Formula: C7H3Cl2FO
• Molecular Weight: 193
• Hs Code.: 2913000090
• European Community (EC) Number: 815-601-0
• UNII: VF56WL5U56
• DSSTox Substance ID: DTXSID60702679
• Wikidata: Q72466198
• Mol file: 1182709-86-9.mol

Synonyms:2,6-dichloro-4-fluorobenzaldehyde;1182709-86-9;VF56WL5U56;MFCD20526366;Benzaldehyde, 2,6-dichloro-4-fluoro-;UNII-VF56WL5U56;SCHEMBL17056841;DTXSID60702679;UOQMGQYMDHYXTB-UHFFFAOYSA-N;AMY28044;CL9230;AKOS016002611;DS-17688;SY108296;CS-0042652

Chemical Property of 2,6-Dichloro-4-fluorobenzaldehyde

Chemical Property:

• Boiling Point: 235.5±35.0 °C(Predicted)
• PSA: 17.07000
• Density: 1.493±0.06 g/cm3(Predicted)
• LogP: 2.94500
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 191.9544983
• Heavy Atom Count: 11
• Complexity: 141

Purity/Quality:

99%, ^*data from raw suppliers

2,6-Dichloro-4-fluorobenzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1Cl)C=O)Cl)F

Technology Process of 2,6-Dichloro-4-fluorobenzaldehyde

There total 1 articles about 2,6-Dichloro-4-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: 60.0%

2,6-dichloro-4-fluoroiodobenzene (939990-10-0) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 2,6-dichloro-4-fluorobenzaldehyde (1182709-86-9)

Guidance literature:

2,6-dichloro-4-fluoroiodobenzene; With ethyl bromide; isopropyl chloride; magnesium; In tetrahydrofuran; at 0 - 10 ℃; for 1h; Inert atmosphere;

N,N-dimethyl-formamide; In tetrahydrofuran; at 0 - 10 ℃; for 1h; Temperature; Inert atmosphere;

Reference yield: 92.0%

3,4,6,7,8,9-hexahydropyrido[3,4-b]indolizin-1(2H)-one (1346672-96-5) + 2,6-dichloro-4-fluorobenzaldehyde (1182709-86-9) → 2-chloro-4-fluoro-6-(1-oxo-3,4,6,7,8,9-hexahydropyrido[3,4-b]indolizin-2(1H)-yl)benzaldehyde

Guidance literature:

With palladium diacetate; potassium carbonate; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; In toluene; at 80 ℃; for 21h; Inert atmosphere; Large scale;

DOI:10.1016/j.tetlet.2020.152447

Reference yield:

2,6-dichloro-4-fluorobenzaldehyde (1182709-86-9) → C12H7BrCl2FNO

Guidance literature:

Multi-step reaction with 4 steps

1.1: pyridine; hydroxylamine hydrochloride / 0.17 h / 20 °C / Inert atmosphere

2.1: N-chloro-succinimide / N,N-dimethyl-formamide / 40 °C

3.1: triethylamine / dichloromethane / 20 °C / Inert atmosphere

4.1: N-Bromosuccinimide / N,N-dimethyl-formamide / 50 °C / Heating

4.2: 24 h / Heating

With pyridine; N-chloro-succinimide; N-Bromosuccinimide; hydroxylamine hydrochloride; triethylamine; In dichloromethane; N,N-dimethyl-formamide;

DOI:10.1021/acsmedchemlett.1c00198

upstream raw materials:

2,6-dichloro-4-fluoroiodobenzene

N,N-dimethyl-formamide

Refernces