2,6-Difluoro-4-iodoanisole

Base Information

• Chemical Name: 2,6-Difluoro-4-iodoanisole
• CAS No.: 886762-68-1
• Molecular Formula: C7H5 F2 I O
• Molecular Weight: 270.017
• Hs Code.: 2909309090
• European Community (EC) Number: 642-774-8
• DSSTox Substance ID: DTXSID50382464
• Nikkaji Number: J2.829.634G
• Wikidata: Q82173822
• Mol file: 886762-68-1.mol

Synonyms:2,6-Difluoro-4-iodoanisole;886762-68-1;1,3-difluoro-5-iodo-2-methoxybenzene;MFCD07368787;SCHEMBL3358050;DTXSID50382464;VPBVKAYYQNPEGB-UHFFFAOYSA-N;AKOS005257566;1,3-Difluoro-2-methoxy-5-iodobenzene;PS-7285;FT-0710173;E76238

Chemical Property of 2,6-Difluoro-4-iodoanisole

Chemical Property:

• Refractive Index: 1.5560
• Boiling Point: 234.2±40.0 °C(Predicted)
• PSA: 9.23000
• Density: 1.876±0.06 g/cm3(Predicted)
• LogP: 2.57800
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Sensitive.: Light Sensitive
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 269.93532
• Heavy Atom Count: 11
• Complexity: 122

Purity/Quality:

97% ^*data from raw suppliers

2,6-Difluoro-4-iodoanisole ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1F)I)F

Technology Process of 2,6-Difluoro-4-iodoanisole

There total 1 articles about 2,6-Difluoro-4-iodoanisole 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:

2,6-difluoro-4-iodophenol (950858-06-7) + methyl iodide (74-88-4) → 2,6-difluoro-4-iodoanisole (886762-68-1)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 3h;

DOI:10.1002/ejoc.201000161

Reference yield: 19.0%

2,6-difluoro-4-iodoanisole (886762-68-1) + 2-methyl-propane-2-sulfinic acid (3-bromo-4-fluoro-phenyl)-(2-cyano-pyridin-3-yl)-methyleneamide (1226799-76-3) → 5-(3-bromo-4-fluorophenyl)-5-(3,5-difluoro-4-methoxyphenyl)-5H-pyrrolo[3,4-b]pyridin-7-amine (1226799-77-4)

Guidance literature:

2,6-difluoro-4-iodoanisole; With tert.-butyl lithium; In tetrahydrofuran; at -100 ℃; Inert atmosphere;

2-methyl-propane-2-sulfinic acid (3-bromo-4-fluoro-phenyl)-(2-cyano-pyridin-3-yl)-methyleneamide; In tetrahydrofuran; at -100 - 25 ℃; for 1.5h;

upstream raw materials:

2,6-difluoro-4-iodophenol

methyl iodide

Downstream raw materials:

5-(3-bromo-4-fluorophenyl)-5-(3,5-difluoro-4-methoxyphenyl)-5H-pyrrolo[3,4-b]pyridin-7-amine

Refernces