2-Fluoro-4-iodobenzaldehyde

Base Information

• Chemical Name: 2-Fluoro-4-iodobenzaldehyde
• CAS No.: 699016-40-5
• Molecular Formula: C7H4FIO
• Molecular Weight: 250.011
• Hs Code.: 2913000090
• European Community (EC) Number: 615-024-2
• DSSTox Substance ID: DTXSID30399196
• Wikidata: Q82201592
• Mol file: 699016-40-5.mol

Synonyms:2-Fluoro-4-iodobenzaldehyde;699016-40-5;2-fluoro-4-iodo-benzaldehyde;3-Fluoro-4-formyliodobenzene;Benzaldehyde, 2-fluoro-4-iodo-;SCHEMBL1350931;DTXSID30399196;LMDKAOXRCQPCAW-UHFFFAOYSA-N;MFCD07782056;AKOS015854232;PS-7486;A9242;CS-0028258;FT-0649403;J-509404

Chemical Property of 2-Fluoro-4-iodobenzaldehyde

Chemical Property:

• Vapor Pressure: 0.0126mmHg at 25°C
• Refractive Index: 1.64
• Boiling Point: 259.9 °C at 760 mmHg
• Flash Point: 111 °C
• PSA: 17.07000
• Density: 1.962 g/cm³
• LogP: 2.24280
• Storage Temp.: Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 249.92909
• Heavy Atom Count: 10
• Complexity: 129

Purity/Quality:

99% ^*data from raw suppliers

2-Fluoro-4-iodobenzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1I)F)C=O

Technology Process of 2-Fluoro-4-iodobenzaldehyde

There total 2 articles about 2-Fluoro-4-iodobenzaldehyde 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: 67.0%

N,N-dimethyl-formamide (68-12-2,33513-42-7) + 1,4-diiodo-2-fluorobenzene (147808-02-4) → 2-fluoro-4-iodobenzaldehyde (699016-40-5)

Guidance literature:

1,4-diiodo-2-fluorobenzene; With isopropylmagnesium chloride; In tetrahydrofuran; at -78 - -50 ℃; for 0.5h;

N,N-dimethyl-formamide; In tetrahydrofuran; at 0 - 20 ℃; for 0.25h;

With water; ammonium chloride; In tetrahydrofuran;

Reference yield:

2-(4-bromo-2-fluorophenyl)-1,3-dioxolane (248270-23-7) → 2-fluoro-4-iodobenzaldehyde (699016-40-5)

Guidance literature:

2-(4-bromo-2-fluorophenyl)-1,3-dioxolane; With n-butyllithium; In tetrahydrofuran; hexane; for 0.666667h; Cooling with acetone-dry ice;

With iodine; In tetrahydrofuran; hexane; at 5 ℃; for 2.16667h; Cooling with acetone-dry ice;

With sodium thiosulfate; In tetrahydrofuran; hexane; ethyl acetate; at 5 ℃; for 0.0833333h;

Reference yield: 84.0%

2-fluoro-4-iodobenzaldehyde (699016-40-5) + methylmagnesium chloride (676-58-4) → 1-(2-fluoro-4-iodo-phenyl)-ethanol (1165872-80-9)

Guidance literature:

2-fluoro-4-iodobenzaldehyde; methylmagnesium chloride; In tetrahydrofuran; at -10 - 20 ℃; for 0.5h;

With water; ammonium chloride; In tetrahydrofuran;

upstream raw materials:

2-(4-bromo-2-fluorophenyl)-1,3-dioxolane

N,N-dimethyl-formamide

1,4-diiodo-2-fluorobenzene

Downstream raw materials:

2,2,2-trifluoro-N-[(1R)-2-[4-[(2-formyl-5-iodophenyl)thio]phenyl]-1-methylethyl]acetamide

Refernces

• 1、 -. "Aminoalcohol derivatives". Page/Page column 43-44. . Retrieved 2010/02/07.