2,3-Difluoro-6-iodobenzoic acid

Base Information

• Chemical Name: 2,3-Difluoro-6-iodobenzoic acid
• CAS No.: 333780-75-9
• Molecular Formula: C7H3F2IO2
• Molecular Weight: 284.001
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID30583114
• Wikidata: Q82474630
• Mol file: 333780-75-9.mol

Synonyms:2,3-Difluoro-6-iodobenzoic acid;333780-75-9;SCHEMBL6418751;DTXSID30583114;RBZFCUDQWRXOLM-UHFFFAOYSA-N;MFCD07368093;AKOS015961759;AB31665;FS-5536;AC-14753;E76989

Chemical Property of 2,3-Difluoro-6-iodobenzoic acid

Chemical Property:

• Vapor Pressure: 0.001mmHg at 25°C
• Boiling Point: 298.116°C at 760 mmHg
• Flash Point: 134.096°C
• PSA: 37.30000
• Density: 2.144g/cm³
• LogP: 2.26760
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 283.91458
• Heavy Atom Count: 12
• Complexity: 188

Purity/Quality:

98%min ^*data from raw suppliers

2,3-Difluoro-6-iodobenzoicacid 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C(=C1F)F)C(=O)O)I

Technology Process of 2,3-Difluoro-6-iodobenzoic acid

There total 1 articles about 2,3-Difluoro-6-iodobenzoic 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: 73.0%

carbon dioxide (124-38-9,18923-20-1) + 1,2-difluoro-4-iodo-benzene (64248-58-4) → 2,3-difluoro-6-iodobenzoic acid (333780-75-9)

Guidance literature:

1,2-difluoro-4-iodo-benzene; With lithium diisopropyl amide; In tetrahydrofuran; at -78 ℃; for 1h; Inert atmosphere;

carbon dioxide; In tetrahydrofuran; at -78 - 25 ℃; Inert atmosphere;

With hydrogenchloride; In water; pH=2;

DOI:10.1039/c0cc03347b

Reference yield: 86.0%

2,3-difluoro-6-iodobenzoic acid (333780-75-9) → 2,3-difluoro-6-iodobenzyl alcohol

Guidance literature:

With borane-THF; boron trifluoride diethyl etherate; In tetrahydrofuran; at 20 - 60 ℃; for 50h; Inert atmosphere;

DOI:10.1002/jlcr.3429

Reference yield: 60.0%

2,3-difluoro-6-iodobenzoic acid (333780-75-9) + 1,3,5-tris(bromomethyl)-2,4,6-trimethylbenzene (21988-87-4) → (2,4,6-trimethylbenzene-1,3,5-triyl)tris(methylene) tris(2,3-difluoro-6-iodobenzoate) (1262193-17-8)

Guidance literature:

2,3-difluoro-6-iodobenzoic acid; With 1,8-diazabicyclo[5.4.0]undec-7-ene; In acetonitrile; at 25 ℃; for 0.25h; Inert atmosphere;

1,3,5-tris(bromomethyl)-2,4,6-trimethylbenzene; In acetonitrile; at 25 ℃; Inert atmosphere;

DOI:10.1039/c0cc03347b

upstream raw materials:

carbon dioxide

1,2-difluoro-4-iodo-benzene

Downstream raw materials:

2,3-difluoro-6-iodobenzonitrile

4-(4-aminophenyl)-7-fluoro-1H-indazol-3-amine

C₇H₄F₂INO

(2,4,6-trimethylbenzene-1,3,5-triyl)tris(methylene) tris(2,3-difluoro-6-iodobenzoate)

Refernces

• 1、 Dimitrijevic, Elena,Kvak, Olga,Taylor, Mark S.. "Measurements of weak halogen bond donor abilities with tridentate anion receptors". supporting information; experimental part. p. 9025 - 9027. Retrieved 2011/02/16.