3-Fluoro-5-iodoaniline

Base Information

• Chemical Name: 3-Fluoro-5-iodoaniline
• CAS No.: 660-49-1
• Molecular Formula: C6H5FIN
• Molecular Weight: 237.015
• Hs Code.: 2921420090
• European Community (EC) Number: 673-910-4
• DSSTox Substance ID: DTXSID70374583
• Wikidata: Q82163196
• Mol file: 660-49-1.mol

Synonyms:3-fluoro-5-iodoaniline;660-49-1;3-FLUORO-5-IODO-PHENYLAMINE;5-Fluoro-3-iodoaniline;3-fluoro-5-iodo aniline;SCHEMBL1353866;Benzenamine, 3-fluoro-5-iodo-;DTXSID70374583;HTEPMXLKKDKDAQ-UHFFFAOYSA-N;MFCD04116466;AKOS005063496;AC-9658;AM62070;CS-W008118;DS-12820;FT-0632770;A19762;EN300-236094;J-512522;F9995-0090

Chemical Property of 3-Fluoro-5-iodoaniline

Chemical Property:

• Vapor Pressure: 0.004mmHg at 25°C
• Refractive Index: 1.656
• Boiling Point: 279.5 °C at 760 mmHg
• PKA: 2.62±0.10(Predicted)
• Flash Point: 122.8 °C
• PSA: 26.02000
• Density: 2.008 g/cm³
• LogP: 2.59370
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• Sensitive.: Light Sensitive
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 236.94507
• Heavy Atom Count: 9
• Complexity: 99.1

Purity/Quality:

98%min ^*data from raw suppliers

3-Fluoro-5-iodoaniline ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-Fluoro-5-iodoaniline

There total 3 articles about 3-Fluoro-5-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: 91.0%

1-fluoro-3-iodo-5-nitrobenzene (3819-88-3) → 3-fluoro-5-iodoaniline (660-49-1)

Guidance literature:

With tin(II) chloride dihdyrate; In ethanol; for 1.5h; Reflux;

Reference yield:

meta-dinitrobenzene (99-65-0) → 3-fluoro-5-iodoaniline (660-49-1)

Guidance literature:

Multi-step reaction with 5 steps

1: I₂, SO₃/H₂SO₄

2: S, aq. Na₂S

3: NaNO₂, aq. HBF₄

4: (pyrolysis)

5: SnCl₂, aq. HCl

With hydrogenchloride; sodium sulfide; tetrafluoroboric acid; sulfuric acid; sulfur trioxide; iodine; tin(ll) chloride; sodium nitrite;

DOI:10.1021/jo01078a015

Reference yield:

5-Iod-3-nitro-1-diazonio-benzol → 3-fluoro-5-iodoaniline (660-49-1)

Guidance literature:

Multi-step reaction with 2 steps

1: (pyrolysis)

2: SnCl₂, aq. HCl

With hydrogenchloride; tin(ll) chloride;

DOI:10.1021/jo01078a015

upstream raw materials:

1-fluoro-3-iodo-5-nitrobenzene

meta-dinitrobenzene

Downstream raw materials:

1-(3-fluoro-5-iodophenyl)piperazine

3-[4-(3-fluoro-5-iodophenyl)piperazin-1-yl]-1-[5-methyl-1-(pyrimidin-2-yl)-1H-pyrazol-4-yl]propan-1-one

N-(3-fluoro-5-iodophenyl)methanesulfonamide

3-fluoro-5-iodo-N,N-dimethylaniline

Refernces

• 1、 Yenugonda, Venkata M.,Xiao, Yingxian,Levin, Edward D.,Rezvani, Amir H.,Tran, Thao,Al-Muhtasib, Nour,Sahibzada, Niaz,Xie, Teresa,Wells, Corinne,Slade, Susan,Johnson, Joshua E.,Dakshanamurthy, Sivanesan,Kong, Hye-Sik,Tomita, York,Liu, Yong,Paige, Mikell,Kellar, Kenneth J.,Brown, Milton L.. "Design, synthesis and discovery of picomolar selective α4β2 nicotinic acetylcholine receptor ligands". supporting information. p. 8404 - 8421. Retrieved 2013/12/04.
• 2、 -. "NITROGENOUS FUSED?RING COMPOUND HAVING PYRAZOLYL GROUP AS SUBSTITUENT AND MEDICINAL COMPOSITION THEREOF". Page 170. . Retrieved 2008/06/13.