2,4,5-Trifluorobenzaldehyde

Base Information

• Chemical Name: 2,4,5-Trifluorobenzaldehyde
• CAS No.: 165047-24-5
• Molecular Formula: C7H3F3O
• Molecular Weight: 160.095
• Hs Code.: 29130000
• European Community (EC) Number: 605-382-8
• DSSTox Substance ID: DTXSID20333948
• Nikkaji Number: J2.303.604E
• Wikidata: Q72510834
• Mol file: 165047-24-5.mol

Synonyms:2,4,5-Trifluorobenzaldehyde;165047-24-5;Sitagliptin Impurity 17;MFCD00061196;2,4,5-trifluoro benzaldehyde;Benzaldehyde, 2,4,5-trifluoro-;Benzaldehyde, 2,4,5-trifluoro- (9CI);2,4,5-trifluorbenzaldehyde;2,4,5-trifluorobenzoaldehyde;SCHEMBL150019;DTXSID20333948;2,4,5-Trifluorobenzaldehyde, 97%;STK503616;AKOS005063906;AC-3860;AM61792;CS-W009003;AS-11134;FT-0609802;FT-0609803;T2319;A21306;EN300-112011;J-507055;Z1203162167

Chemical Property of 2,4,5-Trifluorobenzaldehyde

Chemical Property:

• Appearance/Colour: Clear colorless to light yellow liquid
• Vapor Pressure: 1.03E-11mmHg at 25°C
• Refractive Index: n20/D 1.482(lit.)
• Boiling Point: 179.1 °C at 760 mmHg
• Flash Point: 51.6 °C
• PSA: 17.07000
• Density: 1.407 g/cm³
• LogP: 1.91640
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Sensitive.: Air Sensitive
• Water Solubility.: Not miscible or difficult to mix in water.
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 160.01359920
• Heavy Atom Count: 11
• Complexity: 151

Purity/Quality:

99% ^*data from raw suppliers

2,4,5-Trifluorobenzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C(=CC(=C1F)F)F)C=O
• Uses: It is a reactant in the enantioselective synthesis of (R)-selegiline, an anti-Parkinson's drug, (S)-benzphetamine, an anti-obesity agent, and (S)-sitagliptin, an anti-diabetic drug. 2,4,5-Trifluorobenzaldehyde may be used in the synthesis of:bis(2,4,5-trifluorophenyl)methanone8-phenyl-7-tosyl-1-(2,4,5-trifluorophenyl)octahydro-1H-pyrano[3,4-c] pyridine(E)-4-methoxy-N′-(2,4,5-trifluorobenzylidene)-benzohydrazide monohydrate

Technology Process of 2,4,5-Trifluorobenzaldehyde

There total 3 articles about 2,4,5-Trifluorobenzaldehyde 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:

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:

2-chloro-4,5-difluorobenzaldehyde (165047-23-4) → 2,4,5-trifluorobenzaldehyde (165047-24-5)

Guidance literature:

Reference yield:

→ 2,4,5-trifluorobenzaldehyde (165047-24-5)

Guidance literature:

upstream raw materials:

2,4-dichloro-5-fluorobenzaldehyde

tetraphenylphosphonium bromide

2-chloro-4,5-difluorobenzaldehyde

Downstream raw materials:

(m-tolyl)(2,4,5-trifluorobenzyl)amine

(E)-1,2,4-trifluoro-5-(2-nitrovinyl)benzene

N-[(2,4,5-trifluoro-phenyl)-(toluene-4-sulfonyl)-methyl]-formamide

(2,4,5-trifluorophenyl)methanol

Refernces

• 1、 -. "Process for preparing 4,5-difluorobenzaldehydes". . . Retrieved 2008/06/13.