2-(3,4-Difluorophenyl)-2-oxoacetaldehyde

Base Information

• Chemical Name: 2-(3,4-Difluorophenyl)-2-oxoacetaldehyde
• CAS No.: 79784-34-2
• Molecular Formula: C8H4 F2 O2
• Molecular Weight: 170.115
• Hs Code.: 2912190090
• DSSTox Substance ID: DTXSID101000729
• Wikidata: Q82994440
• Mol file: 79784-34-2.mol

Synonyms:2-(3,4-difluorophenyl)-2-oxoacetaldehyde;BRN 2574671;3,4-Difluoro-alpha-oxobenzeneacetaldehyde;Benzeneacetaldehyde, 3,4-difluoro-alpha-oxo-;3,4-Difluorophenylglyoxal;SCHEMBL8780278;DTXSID101000729;(3,4-Difluorophenyl)(oxo)acetaldehyde;3,4-Difluoro-|A-oxobenzeneacetaldehyde;LS-28451;2-(3,4-difluorophenyl)-2-oxo-acetaldehyde;CS-0206176;EN300-114404;A839756;Z1741975141

Chemical Property of 2-(3,4-Difluorophenyl)-2-oxoacetaldehyde

Chemical Property:

• Vapor Pressure: 0.0697mmHg at 25°C
• Melting Point: 65-70°C
• Boiling Point: 229.4°C at 760 mmHg
• Flash Point: 86.7°C
• PSA: 43.37000
• Density: 1.342g/cm³
• LogP: 1.28210
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 170.01793569
• Heavy Atom Count: 12
• Complexity: 194

Purity/Quality:

99% ^*data from raw suppliers

2-(3,4-Difluorophenyl)-2-oxoacetaldehyde ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1C(=O)C=O)F)F

Technology Process of 2-(3,4-Difluorophenyl)-2-oxoacetaldehyde

There total 2 articles about 2-(3,4-Difluorophenyl)-2-oxoacetaldehyde 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: 80.0%

3',4'-difluoroacetophenone (369-33-5) → 3,4-difluorophenylglyoxal (79784-34-2)

Guidance literature:

With selenium(IV) oxide; In 1,4-dioxane; water; for 6h; Heating;

Reference yield:

ortho-difluorobenzene (367-11-3) → 3,4-difluorophenylglyoxal (79784-34-2)

Guidance literature:

Multi-step reaction with 2 steps

1: AlCl₃ / CS₂

2: 80 percent / selenium dioxide / dioxane; H₂O / 6 h / Heating

With aluminium trichloride; selenium(IV) oxide; In 1,4-dioxane; carbon disulfide; water;

Reference yield: 95.0%

3,4-difluorophenylglyoxal (79784-34-2) + 4-Chloro-1,2-phenylenediamine (95-83-0) → 6-chloro-2-(3,4-difluorophenyl)benzopyrazine

Guidance literature:

With indium; In water; at 60 ℃; for 0.05h; under 1241.19 - 2585.81 Torr; Temperature; chemoselective reaction; Microwave irradiation; Green chemistry;

DOI:10.2174/1386207318666150131125053

upstream raw materials:

3',4'-difluoroacetophenone

ortho-difluorobenzene

Downstream raw materials:

(+/-)-3,4-difluoroisoproterenol

2-tert.-Butylamino-1-<3,4-difluor-phenyl>-aethanol

1-<3,4-Difluor-phenyl>-2-methylamino-aethanol

5-(3,4-Difluoro-phenyl)-[1,2,4]triazine-3-thiol

Refernces

• 1、 VILLA,GRANA. "DIFLUOROANALOGUES OF CATECHOLAMINES WITH BIOLOGICAL IMPORTANCE.". . p. 871 - 876. Retrieved 2007/10/06.