2,6-Difluorobenzamide

Base Information

• Chemical Name: 2,6-Difluorobenzamide
• CAS No.: 18063-03-1
• Molecular Formula: C7H5F2NO
• Molecular Weight: 157.12
• Hs Code.: 2924.29
• European Community (EC) Number: 241-972-8
• UNII: SJ2RN214MK
• DSSTox Substance ID: DTXSID4073417
• Nikkaji Number: J43.076E
• Wikidata: Q15632832
• Mol file: 18063-03-1.mol

Synonyms:2,6-difluorobenzamide

Chemical Property of 2,6-Difluorobenzamide

Chemical Property:

• Appearance/Colour: white powder
• Vapor Pressure: 0.622mmHg at 25°C
• Melting Point: 145-148 °C(lit.)
• Refractive Index: 1,508
• Boiling Point: 187.7 °C at 760 mmHg
• PKA: 14.54±0.50(Predicted)
• Flash Point: 67.3 °C
• PSA: 43.09000
• Density: 1.348 g/cm³
• LogP: 1.76400
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: ethanol: soluble5%, clear to turbid, colorless to light yellow
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 157.03392011
• Heavy Atom Count: 11
• Complexity: 153

Purity/Quality:

99% ^*data from raw suppliers

2,6-Difluorobenzamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,Xn
• Hazard Codes: Xi,Xn
• Statements: 36/37/38-20
• Safety Statements: 26-37/39-36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C(=C1)F)C(=O)N)F
• Description: 2,6-Difluorobenzamide is a major metabolite of pesticide diflubenzuron and has been quantitated by HPLC/diode-array method.
• Uses: 2,6-Difluorobenzamide (CAS# 18063-03-1) is a useful building block used in the synthesis of (E)-3-methyleneisoindolin-1-ones via oxidative annulation acrylates.

Technology Process of 2,6-Difluorobenzamide

There total 15 articles about 2,6-Difluorobenzamide 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: 100.0%

2,6 difluorobenzonitrile (1897-52-5) → 2,6-difluorobenzamide (18063-03-1)

Guidance literature:

With water; nitrile hydratase from Rhodococcus rhodochrous J₁; at 25 ℃; for 22h; KH₂PO₄-K₂HPO₄ puffer pH=8.0;

DOI:10.1016/0040-4020(89)80133-4

Reference yield: 92.0%

2,6-difluoro-benzaldehyde oxime (19064-16-5) → 2,6-difluorobenzamide (18063-03-1)

Guidance literature:

With sulfuric acid; at 125 ℃; for 0.75h;

Reference yield: 81.0%

2,6-difluorobenzaldehyde (437-81-0) → 2,6-difluorobenzamide (18063-03-1)

Guidance literature:

With tert.-butylhydroperoxide; titanium superoxide; saccharin; In 1,4-dioxane; hexane; at 90 ℃; for 1h; Green chemistry;

DOI:10.1039/c9ra10413e

upstream raw materials:

2,6-difluorobenzoylchloride

2,6 difluorobenzonitrile

2,6-difluoro-benzaldehyde oxime

2,6-difluorobenzoic acid

Downstream raw materials:

2,6-difluorobenzoyl isocyanate

ethyl-2,6-difluoro benzimidate

N-cyclopropyl-2,6-difluorobenzamide

2,6-difluoro-N-formylbenzamide

Refernces

• 1、 -. "Preparation method of 2,6-difluorobenzamide". Paragraph 0074; 0080-0081; 0082-0085; 0086-0090; 0091-0094. . Retrieved 2021/05/29.
• 2、 -. "Synthesis method of insecticide teflubenzuron and intermediate 2,6-difluorobenzamide of insecticide teflubenzuron". Paragraph 0056; 0060; 0064; 0068; 0072; 0076. . Retrieved 2020/12/10.