4-Methoxyphenylglyoxal hydrate

Base Information

• Chemical Name: 4-Methoxyphenylglyoxal hydrate
• CAS No.: 16208-17-6
• Molecular Formula: C9H10O4
• Molecular Weight: 182.176
• Hs Code.: 2914509090
• European Community (EC) Number: 681-353-3
• DSSTox Substance ID: DTXSID00574094
• Mol file: 16208-17-6.mol

Synonyms:4-Methoxyphenylglyoxal hydrate;16208-17-6;2-(4-methoxyphenyl)-2-oxoacetaldehyde hydrate;1081566-54-2;4-METHOXYPHENYLGLYOXALHYDRATE;2-(4-methoxyphenyl)-2-oxoacetaldehyde;hydrate;MFCD00234534;2,2-dihydroxy-1-(4-methoxyphenyl)ethanone;SCHEMBL3047437;(4-methoxyphenyl)glyoxal hydrate;p-methoxyphenylglyoxal monohydrate;DTXSID00574094;VPGRGFXPHBTWAZ-UHFFFAOYSA-N;AKOS005254471;AB05250;AS-40441;BP-20092;SY249851;Ethanone,2,2-dihydroxy-1-(4-methoxyphenyl)-;2-(4-methoxyphenyl)-2-oxo-acetaldehyde hydrate;(4-Methoxyphenyl)(oxo)acetaldehyde--water (1/1);A810335

Chemical Property of 4-Methoxyphenylglyoxal hydrate

Chemical Property:

• Vapor Pressure: 4.85E-05mmHg at 25°C
• Melting Point: 126-128 °C
• Refractive Index: 1.569
• Boiling Point: 335 °C at 760 mmHg
• PKA: 10.72±0.41(Predicted)
• Flash Point: 136.2 °C
• PSA: 52.60000
• Density: 1.297 g/cm³
• LogP: 1.01250
• Storage Temp.: Hygroscopic, -20°C Freezer, Under inert atmosphere
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 182.05790880
• Heavy Atom Count: 13
• Complexity: 169

Purity/Quality:

99% ^*data from raw suppliers

4-MethoxyphenylglyoxalHydrate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C(=O)C=O.O

Technology Process of 4-Methoxyphenylglyoxal hydrate

There total 4 articles about 4-Methoxyphenylglyoxal 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: 94.0%

1-(4-methoxyphenyl)ethanone (100-06-1) → 2,2-dihydroxy-1-(4-methoxyphenyl)ethan-1-one (16208-17-6)

Guidance literature:

With hydrogen bromide; dimethyl sulfoxide; at 55 ℃; for 24h;

DOI:10.1021/jo00225a004

Reference yield: 72.0%

p-methoxyphenylglyoxal (1076-95-5) → 2,2-dihydroxy-1-(4-methoxyphenyl)ethan-1-one (16208-17-6)

Guidance literature:

With water; for 3h; Heating;

Reference yield:

1-(4-methoxyphenyl)ethanone (100-06-1) → 2,2-dihydroxy-1-(4-methoxyphenyl)ethan-1-one (16208-17-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 72 percent / SeO₂ / H₂O; dioxane / 16 h / Heating

2: 72 percent / H₂O / 3 h / Heating

With selenium(IV) oxide; water; In 1,4-dioxane; water;

upstream raw materials:

p-methoxyphenylglyoxal

1-(4-methoxyphenyl)ethanone

Downstream raw materials:

C₂₃H₁₈Cl₂N₄O₃

C₂₅H₂₄N₄O₃

ethyl (2R,3S)-3-(4-methoxybenzoyl)-1-(4-methoxyphenyl)aziridine-2-carboxylate

(S)-2-hydroxy-2-(4-methoxyphenyl)-3-nitropropanal

Refernces

• 1、 Brahmachari, Goutam,Nayek, Nayana,Karmakar, Indrajit,Nurjamal, Khondekar,Chandra, Swapan K.,Bhowmick, Anindita. "Series of Functionalized 5-(2-Arylimidazo[1,2-a]pyridin-3-yl)pyrimidine-2,4(1 H,3 H)-diones: A Water-Mediated Three-Component Catalyst-Free Protocol Revisited". . p. 8405 - 8414. Retrieved 2020/07/16.
• 2、 Khalafy, Jabbar,Etivand, Nasser,Poursattar Marjani, Ahmad,Khalillou, Neda. "Synthesis of 4-Hydroxy-3-(2-arylimidazo[1,2-a]pyridin-3-yl)quinolin-2(1H)-ones in the Presence of DABCO as an Efficient Organocatalyst". . p. 1857 - 1865. Retrieved 2019/05/21.