2,3-Difluorobenzaldehyde

Base Information

• Chemical Name: 2,3-Difluorobenzaldehyde
• CAS No.: 2646-91-5
• Molecular Formula: C7H4F2O
• Molecular Weight: 142.105
• Hs Code.: 29130000
• European Community (EC) Number: 607-944-8
• DSSTox Substance ID: DTXSID90181059
• Nikkaji Number: J829.243D
• Wikidata: Q72462380
• Mol file: 2646-91-5.mol

Synonyms:2,3-Difluorobenzaldehyde;

Chemical Property of 2,3-Difluorobenzaldehyde

Chemical Property:

• Appearance/Colour: clear pale yellow liquid
• Vapor Pressure: 0.0216mmHg at 25°C
• Melting Point: 64-65oC
• Refractive Index: n20/D 1.499(lit.)
• Boiling Point: 167.3 °C at 760 mmHg
• Flash Point: 58.3 °C
• Density: 1.297 g/cm³
• Storage Temp.: Room temperature.
• Sensitive.: Air Sensitive
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 142.02302107
• Heavy Atom Count: 10
• Complexity: 127

Purity/Quality:

99% ^*data from raw suppliers

2,3-Difluorobenzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39-36/37

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=C(C(=C1)F)F)C=O
• Uses: 2,3-Difluorobenzaldehyde was used in the synthesis of aminophosphine.

Technology Process of 2,3-Difluorobenzaldehyde

There total 5 articles about 2,3-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: 89.2%

ortho-difluorobenzene (367-11-3) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 2,3-difluorobenzaldehyde (2646-91-5)

Guidance literature:

ortho-difluorobenzene; With n-butyllithium; In tetrahydrofuran; at -70 ℃; for 2h;

N,N-dimethyl-formamide; In tetrahydrofuran; for 2h;

Reference yield: 89.0%

2-nitropropane (79-46-9) + 2,3-difluorobenzyl bromide (113211-94-2) → 1-(2,3-difluoro-phenyl)-2-methyl-2-nitro-propan-1-ol + 2,3-difluorobenzaldehyde (2646-91-5)

Guidance literature:

With tetrabutyl ammonium fluoride; In tetrahydrofuran;

DOI:10.1016/j.tetlet.2005.05.021

Reference yield: 48.2%

1,2-difluoro-3-methyl-benzene (3828-49-7) → 2,3-difluorobenzaldehyde (2646-91-5)

Guidance literature:

With sodium molybdate; dihydrogen peroxide; cobalt(II) acetate; acetic acid; sodium bromide; at 120 ℃; Temperature;

upstream raw materials:

1,2-difluoro-3-methyl-benzene

2-nitropropane

2,3-difluorobenzyl bromide

ortho-difluorobenzene

Downstream raw materials:

-(2,3-Difluoro-phenyl)-N,N'-bis-[1,3,4]thiadiazol-2-yl-methanediamine

1-(2,3-Difluorphenyl)-2-nitropropen

meso-N,N'-Disalicylidene-1,2-bis(2,3-difluorophenyl)ethylendiamine

1,2-Bis-(2,3-difluoro-phenyl)-N,N'-bis-[1-(2,3-difluoro-phenyl)-meth-(E)-ylidene]-ethane-1,2-diamine

Refernces

• 1、 -. "PYRIMIDONE DERIVATIVES AS SELECTIVE CYTOTOXIC AGENTS AGAINST HIV INFECTED CELLS". Page/Page column 41. . Retrieved 2020/07/14.
• 2、 -. "Method for preparing 2,3-difluorobenzaldehyde through continuous oxidation of 2,3-difluorotoluene". Paragraph 0052-0054. . Retrieved 2017/07/07.