4,5-Difluoro-2-iodoaniline

Base Information

• Chemical Name: 4,5-Difluoro-2-iodoaniline
• CAS No.: 847685-01-2
• Molecular Formula: C6H4F2IN
• Molecular Weight: 255.006
• Hs Code.: 2921420090
• European Community (EC) Number: 875-578-8
• DSSTox Substance ID: DTXSID90479448
• Wikidata: Q72463040
• Mol file: 847685-01-2.mol

Synonyms:4,5-Difluoro-2-iodoaniline;847685-01-2;2-Iodo-4,5-Difluoroaniline;4,5-difluoro-2-iodobenzenaMine;Benzenamine, 4,5-difluoro-2-iodo-;MFCD03095321;4,5-difluoro-2-iodo-phenylamine;SCHEMBL1093491;DTXSID90479448;XBOMEOMTVVEEDW-UHFFFAOYSA-N;AKOS016005657;AM61655;DS-18334;SY041071;CS-0035710;EN300-95078;A923111;Z1269205743

Chemical Property of 4,5-Difluoro-2-iodoaniline

Chemical Property:

• Boiling Point: 258℃
• Flash Point: 110℃
• PSA: 26.02000
• Density: 2.086
• LogP: 2.73280
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 254.93565
• Heavy Atom Count: 10
• Complexity: 122

Purity/Quality:

97% ^*data from raw suppliers

4,5-Difluoro-2-iodoaniline 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4,5-Difluoro-2-iodoaniline

There total 1 articles about 4,5-Difluoro-2-iodoaniline 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: 97.0%

3,4-difluoroaniline (3863-11-4) → 2-iodo-4,5-difluoroaniline (847685-01-2)

Guidance literature:

With iodine; sodium hydrogencarbonate; In water; at 20 ℃; for 0.5h;

Reference yield: 98.0%

4-ethynyl-2,3,5,6-tetrafluoroaniline (61794-59-0) + 2-iodo-4,5-difluoroaniline (847685-01-2) + 4,4'-(buta-1,3-diyne-1,4-diyl)bis(2,3,5,6-tetrafluoroaniline)

Guidance literature:

With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine; In acetonitrile; at 20 - 60 ℃; for 4h; Inert atmosphere;

DOI:10.1016/j.jfluchem.2016.06.010

Reference yield: 96.0%

4-ethynyl-3-fluoroaniline (1233501-57-9) + 2-iodo-4,5-difluoroaniline (847685-01-2) → 2-[(4-amino-2-fluorophenyl)ethynyl]-4,5-difluoroaniline + 4,4'-(buta-1,3-diyne-1,4-diyl)bis(3-fluoroaniline)

Guidance literature:

With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine; In acetonitrile; at 20 - 60 ℃; for 4h; Inert atmosphere;

DOI:10.1016/j.jfluchem.2016.06.010

upstream raw materials:

3,4-difluoroaniline

Downstream raw materials:

(4,5-difluoro-2-iodo-phenyl)-carbamic acid methyl ester

5,6-difluoro-1H-indole

(4,5-difluoro-2-trimethylsilanylethynyl-phenyl)-carbamic acid methyl ester

3-bromo-1-(4-tert-butyl-benzyl)-4-(5,6-difluoro-1H-indol-3-yl)-pyrrole-2,5-dione