3,4-Difluoro-2-iodoaniline

Base Information

• Chemical Name: 3,4-Difluoro-2-iodoaniline
• CAS No.: 161958-41-4
• Molecular Formula: C₆H₄F₂IN
• Molecular Weight: 255.006
• European Community (EC) Number: 822-196-4
• DSSTox Substance ID: DTXSID40449333
• Wikidata: Q82268757
• Mol file: 161958-41-4.mol

Synonyms:3,4-difluoro-2-iodoaniline;161958-41-4;Benzenamine, 3,4-difluoro-2-iodo-;SCHEMBL3867828;3,4-difluoro-2-iodobenzenamine;DTXSID40449333;SB82046;CS-0111950;D77049;EN300-1704764

Chemical Property of 3,4-Difluoro-2-iodoaniline

Chemical Property:

• 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:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=C(C(=C1N)I)F)F

Technology Process of 3,4-Difluoro-2-iodoaniline

There total 1 articles about 3,4-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:

N-(tert-butoxycarbonyl)-3,4-difluoro-2-iodoaniline → 3,4-difluoro-2-iodoaniline (161958-41-4)

Guidance literature:

With hydrogenchloride; In 1,4-dioxane; at 70 ℃; for 0.5h; Yield given;

DOI:10.1016/0957-4166(94)00381-K

Reference yield: 83.0%

but-3-yn-2-ol (2028-63-9) + 3,4-difluoro-2-iodoaniline (161958-41-4) → 4-(2-amino-5,6-difluorophenyl)-3-butyn-2-ol

Guidance literature:

With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; 4 A molecular sieve; triethylamine; at 60 ℃; for 1.5h;

DOI:10.1016/0957-4166(94)00381-K

Reference yield: 80.0%

(R)-(+)-3-butyn-2-ol (42969-65-3) + 3,4-difluoro-2-iodoaniline (161958-41-4) → (R)-4-(2-amino-5,6-difluorophenyl)-3-butyn-2-ol

Guidance literature:

With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; 4 A molecular sieve; triethylamine; at 60 ℃; for 1.5h;

DOI:10.1016/0957-4166(94)00381-K

Downstream raw materials:

4,5-difluoro-1H-indole-2-carboxylic acid

C₁₇H₁₄BrF₂N₃O₃S

(E)-5-bromo-N'-(1-(4,5-difluoro-1H-indol-2-yl)ethylidene)-2-hydroxybenzohydrazide