2-Chloro-4,5-difluorobenzaldehyde

Base Information

• Chemical Name: 2-Chloro-4,5-difluorobenzaldehyde
• CAS No.: 165047-23-4
• Molecular Formula: C7H3ClF2O
• Molecular Weight: 176.55
• Hs Code.: 2913000090
• DSSTox Substance ID: DTXSID90571097
• Wikidata: Q82458704
• Mol file: 165047-23-4.mol

Synonyms:2-CHLORO-4,5-DIFLUOROBENZALDEHYDE;165047-23-4;2-chloro-4,5-difluoro-benzaldehyde;MFCD07782050;SCHEMBL1053001;DTXSID90571097;GWUMAKZIHXGJKC-UHFFFAOYSA-N;Benzaldehyde,2-chloro-4,5-difluoro-;AKOS006284687;AM62286;CS-W021648;DS-1634;SY060418;A810618;J-508709

Chemical Property of 2-Chloro-4,5-difluorobenzaldehyde

Chemical Property:

• Vapor Pressure: 0.178mmHg at 25°C
• Refractive Index: 1.536
• Boiling Point: 211.9 °C at 760 mmHg
• Flash Point: 81.9 °C
• PSA: 17.07000
• Density: 1.453 g/cm³
• LogP: 2.43070
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 175.9840487
• Heavy Atom Count: 11
• Complexity: 153

Purity/Quality:

98%min ^*data from raw suppliers

2-Chloro-4,5-difluorobenzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C(=CC(=C1F)F)Cl)C=O

Technology Process of 2-Chloro-4,5-difluorobenzaldehyde

There total 2 articles about 2-Chloro-4,5-difluorobenzaldehyde 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: 71.6%

(2-chloro-5-fluoro-4-methoxyphenyl)methanol (288154-93-8) → 2-chloro-4,5-difluorobenzaldehyde (165047-23-4)

Guidance literature:

With Dess-Martin periodane; In dichloromethane; at 20 ℃; for 0.166667h;

Reference yield:

2,4-dichloro-5-fluorobenzaldehyde (86522-91-0) + tetraphenylphosphonium bromide (2751-90-8) → 2-chloro-4,5-difluorobenzaldehyde (165047-23-4) + 2,4,5-trifluorobenzaldehyde (165047-24-5)

Guidance literature:

With potassium fluoride; In sulfolane;

Reference yield: 68.3%

2-chloro-4,5-difluorobenzaldehyde (165047-23-4) + 4-((3-chloro-4-fluorophenyl)amino)-7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-carbohydrazide → (E)-N’-(2-chloro-4,5-difluorobenzylidene)-4-((3-chloro-4-fluorophenyl)amino)-7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-carbohydrazide

Guidance literature:

In ethanol; for 1h; Reflux;

DOI:10.1016/j.bmc.2018.02.023

upstream raw materials:

2,4-dichloro-5-fluorobenzaldehyde

tetraphenylphosphonium bromide

(2-chloro-5-fluoro-4-methoxyphenyl)methanol

Downstream raw materials:

2,4,5-trifluorobenzaldehyde

1-chloro-4,5-difluoro-2-[(E)-2-nitrovinyl]benzene

2-chloro-5-fluoro-4-[2-(2-methoxy-ethoxy)-ethoxy]-benzaldehyde

2-chloro-5-fluoro-4-hydroxy-benzaldehyde

Refernces

• 1、 -. "Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV)". Page/Page column 21. . Retrieved 2010/11/24.