2,3-DIFLUOROBENZOIC ACID

Base Information

• Chemical Name: 2,3-DIFLUOROBENZOIC ACID
• CAS No.: 18355-75-4
• Molecular Formula: C7H5F2NO
• Molecular Weight: 157.12
• Hs Code.: 2921420090
• European Community (EC) Number: 670-886-7
• DSSTox Substance ID: DTXSID60171442
• Wikidata: Q72462406
• Mol file: 18355-75-4.mol

Synonyms:RARECHEM AL BO 0251;TIMTEC-BB SBB006679;CHEMPACIFIC 39931;BUTTPARK 45\01-40;LABOTEST-BB LT00453855;2,3-DIFLUOROBENZAMIDE;2,3-Difluorobenzamide 97%;2,3-Difluorobenzamide97%

Chemical Property of 2,3-DIFLUOROBENZOIC ACID

Chemical Property:

• Vapor Pressure: 0.387mmHg at 25°C
• Melting Point: 163-165 °C(lit.)
• Refractive Index: 1.515
• Boiling Point: 197 °C at 760 mmHg
• PKA: 14.72±0.50(Predicted)
• Flash Point: 73 °C
• PSA: 43.09000
• Density: 1.348 g/cm³
• LogP: 1.76400
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 157.03392011
• Heavy Atom Count: 11
• Complexity: 163

Purity/Quality:

98%,99%, ^*data from raw suppliers

2,3-Difluorobenzamide ^*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)N

Technology Process of 2,3-DIFLUOROBENZOIC ACID

There total 4 articles about 2,3-DIFLUOROBENZOIC ACID 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: 85.0%

2,3-difluorobenzaldehyde (2646-91-5) → 2,3-difluorobenzamide (18355-75-4)

Guidance literature:

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

DOI:10.1039/c9ra10413e

Reference yield:

benzamide (55-21-0,27208-38-4) → 2-fluorobenzamide (445-28-3) + 2,3-difluorobenzamide (18355-75-4) + (3,4-difluoro-phenyl)-amide (85118-04-3) + 3,3,6,6-tetrafluoro-1,4-cyclohexadienecarboxamide

Guidance literature:

With hydrogen fluoride; at 5 ℃; for 19h; Further byproducts given; Electrochemical reaction;

DOI:10.1023/B:RUJO.0000036072.78258.c2

Reference yield:

2,3-difluorobenzonitrile (21524-39-0) → 2,3-difluorobenzamide (18355-75-4)

Guidance literature:

With potassium hydroxide; In tert-butyl alcohol; for 1h; Heating;

DOI:10.1016/0223-5234(90)90132-M

upstream raw materials:

2,3-difluorobenzonitrile

benzamide

2,3-difluorobenzaldehyde

Downstream raw materials:

3-fluoro-2-[4-[(2-fluorospiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methyl]-3-methylpyrazol-1-yl]benzamide (L)-tartrate

3-fluoro-2-(4-formyl-3-methylpyrazol-1-yl)benzamide

Refernces

• 1、 Shainyan,Danilevich,Grigor'eva,Chuvashev. "Electrochemical fluorination of benzamide and acetanilide in anhydrous HF and in acetonitrile". . p. 513 - 517. Retrieved 2007/10/03.