2-(4-Fluorophenyl)-2-oxoacetaldehyde

Base Information

• Chemical Name: 2-(4-Fluorophenyl)-2-oxoacetaldehyde
• CAS No.: 403-32-7
• Molecular Formula: C8H5 F O2
• Molecular Weight: 152.125
• Hs Code.: 2914700090
• European Community (EC) Number: 670-773-2
• NSC Number: 402742
• DSSTox Substance ID: DTXSID80193308
• Nikkaji Number: J1.666.481B
• Wikidata: Q83066024
• ChEMBL ID: CHEMBL1872708
• Mol file: 403-32-7.mol

Synonyms:2-(4-fluorophenyl)-2-oxoacetaldehyde;403-32-7;4-fluorophenylglyoxal;(4-FLUORO-PHENYL)-OXO-ACETALDEHYDE;Benzeneacetaldehyde, 4-fluoro-alpha-oxo-;4-Fluoro-alpha-oxobenzeneacetaldehyde;BRN 2354778;4-Fluoro-alpha-oxo-benzeneacetaldehyde;C8H5FO2;p-fluorophenylglyoxal;NSC402742;NSC 402742;1-(4-Fluorophenyl)glyoxal;SCHEMBL360314;CHEMBL1872708;DTXSID80193308;(4-fluorophenyl)-oxo-acetaldehyde;C8-H5-F-O2;MFCD01733156;2-oxo-2-(4-fluorophenyl)acetaldehyde;AKOS006228694;NSC-402742;NCGC00184197-01;AS-68295;LS-28452;CS-0332409;FT-0668678;A18742;F77926;4-Fluorophenylglyoxal hydrate, 98%, dry wt. basis

Chemical Property of 2-(4-Fluorophenyl)-2-oxoacetaldehyde

Chemical Property:

• Vapor Pressure: 0.155mmHg at 25°C
• Melting Point: 84-88℃
• Boiling Point: 214.5°Cat760mmHg
• Flash Point: 80.4°C
• PSA: 43.37000
• Density: 1.241g/cm³
• LogP: 1.14300
• Solubility.: Chloroform, Methanol
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 152.02735756
• Heavy Atom Count: 11
• Complexity: 160

Purity/Quality:

98%min ^*data from raw suppliers

4-Fluoro-α-oxo-benzeneacetaldehyde ^*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=CC(=CC=C1C(=O)C=O)F
• Uses: 4-Fluoro-α-oxo-benzeneacetaldehyde (cas# 403-32-7) is a compound useful in organic synthesis.

Technology Process of 2-(4-Fluorophenyl)-2-oxoacetaldehyde

There total 7 articles about 2-(4-Fluorophenyl)-2-oxoacetaldehyde 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: 92.0%

1-(4-fluorophenyl)ethanone (403-42-9) → (4-fluorophenyl)glyoxal (403-32-7)

Guidance literature:

With selenium(IV) oxide; In 1,4-dioxane; water; at 1100 ℃; for 5h; Inert atmosphere;

Reference yield:

para-fluorostyrene (405-99-2) → (4-fluorophenyl)glyoxal (403-32-7)

Guidance literature:

With 1-hydroxy-3H-benz[d][1,2]iodoxole-1,3-dione; In dimethyl sulfoxide; at 20 ℃; for 0.5h; Inert atmosphere;

DOI:10.1016/j.tet.2012.05.055

Reference yield:

4-fluoro-2-hydroxy-acetophenone (403-31-6) → (4-fluorophenyl)glyoxal (403-32-7)

Guidance literature:

With 1-hydroxy-3H-benz[d][1,2]iodoxole-1,3-dione; In dimethyl sulfoxide; at 80 ℃; for 2h;

DOI:10.1021/ol301921t

upstream raw materials:

1-(4-fluorophenyl)ethanone

fluorobenzene

para-fluorostyrene

4-fluoro-2-hydroxy-acetophenone

Downstream raw materials:

5-(4-fluorophenyl)-1-phenylhydantoin

2,2-difluoro-2-(4-fluorophenyl)acetaldehyde

4-[7-(4-fluoro-phenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-ylmethyl]-phenol

5-(4-fluorophenyl)-3-(methylthio)-1,2,4-triazine

Refernces

• 1、 Kuzu, Burak,Tan, Meltem,Gül?in, ?lhami,Menges, Nurettin. "A novel class for carbonic anhydrases inhibitors and evaluation of their non-zinc binding". . . Retrieved 2021/06/09.
• 2、 Heppner, David E.,Günther, Marcel,Wittlinger, Florian,Laufer, Stefan A.,Eck, Michael J.. "Structural Basis for EGFR Mutant Inhibition by Trisubstituted Imidazole Inhibitors". . p. 4293 - 4305. Retrieved 2020/05/27.