Paroxypropione

Base Information

• Chemical Name: Paroxypropione
• CAS No.: 70-70-2
• Molecular Formula: C9H10O2
• Molecular Weight: 240.73
• Hs Code.: 29145000
• European Community (EC) Number: 200-743-2
• NSC Number: 760386,33949,2834
• UNII: X9952001TG
• DSSTox Substance ID: DTXSID8023426
• Nikkaji Number: J4.879H
• Wikipedia: Paroxypropione
• Wikidata: Q19598411
• NCI Thesaurus Code: C90867
• Metabolomics Workbench ID: 67519
• ChEMBL ID: CHEMBL312311
• Mol file: 70-70-2.mol

Synonyms:4-hydroxypropiophenone;p-hydroxypropiophenone;para-hydroxypropiophenone

Chemical Property of Paroxypropione

Chemical Property:

• Appearance/Colour: white powder
• Melting Point: 36-38 °C(lit.)
• Refractive Index: 1.5360 (estimate)
• Boiling Point: 299.3 °C at 760 mmHg
• PKA: 8.87±0.26(Predicted)
• Flash Point: 126.2 °C
• PSA: 37.30000
• Density: 1.104 g/cm³
• LogP: 1.98490
• Storage Temp.: Store below +30°C.
• Solubility.: methanol: 0.1 g/mL, clear
• Water Solubility.: 0.34 g/l (15 ºC)
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 150.068079557
• Heavy Atom Count: 11
• Complexity: 135

Purity/Quality:

99% ^*data from raw suppliers

4'-Hydroxypropiophenone >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn, Xi
• Hazard Codes: Xn,Xi
• Statements: 36/37/38
• Safety Statements: 37-24/25-36-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(=O)C1=CC=C(C=C1)O
• Uses: gonadotropic hormone inhibitor p-Hydroxypropiophenone is a 4-hydroxyphenyl ketone used in the preparation of potential antitumor agents. p-Hydroxypropiophenone is a lignin degrradation product. Intermediates of Liquid Crystals

Technology Process of Paroxypropione

There total 44 articles about Paroxypropione 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: 99.0%

propionyl chloride (79-03-8) + phenol (108-95-2,27073-41-2) → 4-hydroxypropiophenone (70-70-2)

Guidance literature:

With trifluorormethanesulfonic acid; at 0 - 20 ℃; for 1h; regiospecific reaction;

DOI:10.1016/j.tet.2010.11.047

Reference yield: 94.0%

1-(4-(tetrahydro-2H-pyran-2-yloxy)phenyl)propan-1-one → 4-hydroxypropiophenone (70-70-2)

Guidance literature:

With cerium (IV) sulfate tetrahydrate; In methanol; at 130 ℃; for 0.333333h; Temperature; Microwave irradiation;

DOI:10.1016/j.tetlet.2013.10.117

Reference yield: 92.0%

4-benzyloxypropiophenone (4495-66-3) → 4-hydroxypropiophenone (70-70-2)

Guidance literature:

With hydrogen; nickel; In isopropyl alcohol; at 60 ℃; under 3102.9 Torr; 20-24 h;

DOI:10.1080/00397919708004201

upstream raw materials:

diethyl ether

dibutyl ether

N, N-diethyl-4-hydroxybenzamide

ethylmagnesium bromide

Downstream raw materials:

4-hydroxyphenylpropionic acid

2-(4-hydroxy-phenyl)-3-methyl-quinoline-4-carboxylic acid

4-benzyloxypropiophenone

1,1'-((ethane-1,2-diylbis(oxy))bis(4,1-phenylene))bis(propan-1-one)

Refernces

Synthesis of dimebon and of its tetrathiomolybdate

10.1080/00304948.2015.1025017

The study details the synthesis of Latrepirdine (also known as Dimebon) and its tetrathiomolybdate derivative. Dimebon is an antihistamine drug with potential cognitive-enhancing and neuroprotective properties, particularly in Alzheimer’s and Huntington’s disease models. The researchers developed a reproducible process to prepare Dimebon starting from methyl 6-methylnicotinate, involving several steps including reduction, condensation, and nitrosation, ultimately leading to the final product via the Fischer Indole Synthesis. The study also explores the synthesis of dimebon tetrathiomolybdate, a compound that combines dimebon's neuroprotective properties with the copper-complexing abilities of the tetrathiomolybdate ion, which has been shown to lower insoluble beta-amyloid levels in Alzheimer's disease models. Two methods for preparing the tetrathiomolybdate derivative were investigated, with the first yielding the product in 82% yield. The study provides detailed procedures and characterizations of the synthesized compounds, highlighting their potential medicinal applications.