3-Fluoro-2-iodoanisole

Base Information

• Chemical Name: 3-Fluoro-2-iodoanisole
• CAS No.: 7079-54-1
• Molecular Formula: C7H6FIO
• Molecular Weight: 252.027
• Hs Code.: 2909309090
• European Community (EC) Number: 685-587-7
• Nikkaji Number: J3.456.918E
• Mol file: 7079-54-1.mol

Synonyms:3-Fluoro-2-iodoanisole;7079-54-1;1-fluoro-2-iodo-3-methoxybenzene;1-fluoro-2-iodo-3-methoxy-benzene;Benzene, 1-fluoro-2-iodo-3-methoxy-;MFCD03788539;2-Fluoro-6-methoxyiodobenzene;3-Fluoro-2-iodophenyl methyl ether;6-Fluoro-2-methoxyiodobenzene;SCHEMBL1805859;3-Fluoro-2-iodoanisole, 97%;CPTMVKLYWHEOMG-UHFFFAOYSA-N;1-Methoxy-2-iodo-3-fluorobenzene;AKOS015890070;AC-3796;AM62084;CS-W010205;PS-7459;SY040766;FT-0658418;A19868;EN300-105154

Chemical Property of 3-Fluoro-2-iodoanisole

Chemical Property:

• Vapor Pressure: 0.13mmHg at 25°C
• Refractive Index: 1.569
• Boiling Point: 225.3 °C at 760 mmHg
• Flash Point: 90.1 °C
• PSA: 9.23000
• Density: 1.803 g/cm³
• LogP: 2.43890
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 251.94474
• Heavy Atom Count: 10
• Complexity: 110

Purity/Quality:

99% ^*data from raw suppliers

3-Fluoro-2-iodoanisole ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C(=CC=C1)F)I

Technology Process of 3-Fluoro-2-iodoanisole

There total 4 articles about 3-Fluoro-2-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: 73.0%

3-methoxy-2-(trimethylsilyl)phenyl-trifluoromethanesulfonate (217813-03-1) → 1-fluoro-2-iodo-3-methoxybenzene (7079-54-1)

Guidance literature:

With 1-iodo-2,2,3,3,4,4,5,5,5-nonafluorobutane; Diphenyliodonium triflate; cesium fluoride; In acetonitrile; at 20 ℃;

DOI:10.1002/anie.201503308

Reference yield:

1-fluoro-3-methoxy-2-nitrobenzene (641-49-6) → 1-fluoro-2-iodo-3-methoxybenzene (7079-54-1)

Guidance literature:

Multi-step reaction with 2 steps

1: tin (II)-chloride; aqueous methanol.hydrochloric acid

2: Diazotization

With hydrogenchloride; tin(ll) chloride;

DOI:10.1021/ja01346a050

Reference yield:

2-nitro-3-fluorophenol (385-01-3) → 1-fluoro-2-iodo-3-methoxybenzene (7079-54-1)

Guidance literature:

Multi-step reaction with 3 steps

1: K₂CO₃; xylene

2: tin (II)-chloride; aqueous methanol.hydrochloric acid

3: Diazotization

With hydrogenchloride; potassium carbonate; tin(ll) chloride; xylene;

DOI:10.1021/ja01346a050

upstream raw materials:

2-fluoro-6-methoxyphenylamine

2-nitro-3-fluorophenol

1-fluoro-3-methoxy-2-nitrobenzene

3-methoxy-2-(trimethylsilyl)phenyl-trifluoromethanesulfonate

Downstream raw materials:

2'-chloro-1-((1-(2-fluoro-6-methoxyphenyl)-3-methyl-1H-pyrazol-4-yl)methyl)-4',4'-difluoro-4',5'-dihydrospiro[piperidine-4,7'-thieno[2,3-c]pyran]

3-fluoro-2-iodophenol

5-methoxy-1,4-dihydro-1,4-methanonaphthalene

Refernces