3-Fluorophenylglyoxal hydrate

Base Information

• Chemical Name: 3-Fluorophenylglyoxal hydrate
• CAS No.: 121247-01-6
• Molecular Formula: C8H5 F O2
• Molecular Weight: 152.125
• Hs Code.: 2912190090
• DSSTox Substance ID: DTXSID70382547
• Mol file: 121247-01-6.mol

Synonyms:3-Fluorophenylglyoxal hydrate;121247-01-6;2-(3-fluorophenyl)-2-oxoacetaldehyde hydrate;2-(3-fluorophenyl)-2-oxoacetaldehyde;hydrate;1049745-82-5;(3-Fluorophenyl)glyoxal;SCHEMBL8938135;3-Fluoro-a-oxobenzeneacetaldehyde;DTXSID70382547;MFCD06800769;AKOS005254470;AB29976;MS-20016;2-(3-fluorophenyl)-2-oxoacetaldehydehydrate;FT-0677415;F77932;J-505788

Chemical Property of 3-Fluorophenylglyoxal hydrate

Chemical Property:

• Vapor Pressure: 0.164mmHg at 25°C
• Melting Point: 57-59°C
• Refractive Index: ">
• Boiling Point: 213.4°Cat760mmHg
• Flash Point: 80°C
• PSA: 57.53000
• Density: g/cm³
• LogP: 0.31910
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 170.03792224
• Heavy Atom Count: 12
• Complexity: 168

Purity/Quality:

97% ^*data from raw suppliers

3-FluorophenylglyoxalHydrate ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-Fluorophenylglyoxal hydrate

There total 1 articles about 3-Fluorophenylglyoxal hydrate 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:

1-(3-fluorophenyl)ethanone (455-36-7) → 2-(3-fluorophenyl)-2-oxoacetaldehyde (121247-01-6)

Guidance literature:

With hydrogen bromide; dimethyl sulfoxide; In water; at 55 ℃;

DOI:10.3998/ark.5550190.p008.270

Reference yield: 97.0%

pyrrolidine (123-75-1) + 2-(3-fluorophenyl)-2-oxoacetaldehyde (121247-01-6) → 1-(3-fluorophenyl)-2-(pyrrolidin-1-yl)ethane-1,2-dione (1382223-69-9)

Guidance literature:

With pyridine; oxygen; copper(I) bromide; In toluene; at 90 ℃; for 12h; under 760.051 Torr;

DOI:10.1021/ol301130u

Reference yield: 72.0%

1-methylindole (603-76-9) + 2-(3-fluorophenyl)-2-oxoacetaldehyde (121247-01-6) → 1-(3-fluorophenyl)-2-(1-methyl-1H-indol-3-yl)ethane-1,2-dione

Guidance literature:

With pyridine; copper(I) bromide; In toluene; at 90 ℃; for 6h; Schlenk technique;

DOI:10.1016/j.tet.2015.07.004

upstream raw materials:

1-(3-fluorophenyl)ethanone

Downstream raw materials:

2-(3'-fluorophenyl)-3-methoxy-6-(3''-methoxybenzylthio)imidazo<1,2-b>pyridazine

6-chloro-2-(3'-fluorophenyl)-3-methoxyimidazo<1,2-b>pyridazine

2-(3'-fluorophenyl)-3-methoxy-6-(2-methylthiophenoxy)imidazo<1,2-b>pyridazine

6-(2'-ethoxyphenoxy)-2-(3-fluorophenyl)-3-methoxyimidazo<1,2-b>pyridazine

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