4-Fluoro-3-iodobenzaldehyde

Base Information

• Chemical Name: 4-Fluoro-3-iodobenzaldehyde
• CAS No.: 227609-88-3
• Molecular Formula: C7H4 F I O
• Molecular Weight: 250.011
• Hs Code.: 2913000090
• European Community (EC) Number: 865-841-5
• DSSTox Substance ID: DTXSID90437902
• Nikkaji Number: J2.289.573G
• Wikidata: Q72480250
• Mol file: 227609-88-3.mol

Synonyms:4-Fluoro-3-iodobenzaldehyde;227609-88-3;4-FLUORO-3-IODOBENZENECARBALDEHYDE;3-iodo-4-fluorobenzaldehyde;Benzaldehyde, 4-fluoro-3-iodo-;4-fluoro-3-iodo-benzaldehyde;3-iodo-4-fluoro-benzaldehyde;SCHEMBL1613502;DTXSID90437902;DGUYWJGDFCRUHC-UHFFFAOYSA-N;MFCD08236850;AKOS005072645;AB44172;FC-0617;CS-0312191;FT-0644064;EN300-227541;A816340;J-515370;Z1269142176;4-(4-HYDROXYPHENYL)-2-METHYLPENTAN-2-YLCARBAMATE

Chemical Property of 4-Fluoro-3-iodobenzaldehyde

Chemical Property:

• Vapor Pressure: 0.0055mmHg at 25°C
• Melting Point: 67°
• Boiling Point: 274.1°C at 760 mmHg
• Flash Point: 119.6°C
• PSA: 17.07000
• Density: 1.962g/cm³
• LogP: 2.24280
• Sensitive.: Air & Light Sensitive
• 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:

98%min ^*data from raw suppliers

4-Fluoro-3-iodobenzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1C=O)I)F

Technology Process of 4-Fluoro-3-iodobenzaldehyde

There total 7 articles about 4-Fluoro-3-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: 80.0%

4-fluorobenzaldehyde (459-57-4) → 4-fluoro-3-iodobenzaldehyde (227609-88-3)

Guidance literature:

With N-iodo-succinimide; sulfuric acid; acetic acid; for 4h;

DOI:10.1021/acs.oprd.1c00019

Reference yield: 41.5%

1-fluoro-2-iodo-4-methylbenzene (452-82-4) → 4-fluoro-3-iodobenzaldehyde (227609-88-3)

Guidance literature:

1-fluoro-2-iodo-4-methylbenzene; With N-Bromosuccinimide; dibenzoyl peroxide; In tetrachloromethane; for 3h; Heating / reflux;

With sodium hydrogencarbonate; In dimethyl sulfoxide; at 120 ℃; for 1.5h;

Reference yield:

(4-fluoro-3-iodophenyl)methanol (227609-87-2) → 4-fluoro-3-iodobenzaldehyde (227609-88-3)

Guidance literature:

With manganese(IV) oxide; In chloroform;

DOI:10.1021/jm030356w

upstream raw materials:

4-(bromomethyl)-1-fluoro-2-iodobenzene

(4-fluoro-3-iodophenyl)methanol

4-fluorobenzaldehyde

3-amino-4-fluorobenzoic acid

Downstream raw materials:

2-fluoro-5-formyl-benzoic acid

2,2,2-trifluoro-1-(2-fluoro-5-((4-fluorophenyl)(hydroxy)methyl)phenyl)ethanone

3-benzyl-6-((4-fluorophenyl)(hydroxy)(1-methyl-1H-imidazol-5-yl)methyl)-N-methyl-4-(trifluoromethyl)quinolin-2-carboxamide

3-benzyl-6-(4-fluorobenzoyl)-N-methyl-4-(trifluoromethyl)quinoline-2-carboxamide

Refernces

• 1、 -. "METHYLENE LINKED QUINOLINYL MODULATORS OF RORyt". Paragraph 0529; 0530. . Retrieved 2014/05/07.
• 2、 Li, Wenke,Wayne, Gregory S.,Lallaman, John E.,Chang, Sou-Jen,Wittenberger, Steven J.. "An improved synthesis of Pyran-3,5-dione: Application to the synthesis of ABT-598, a potassium channel opener, via Hantzsch reaction". . p. 1725 - 1727. Retrieved 2007/10/03.