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:

nicotinic acid-[1-(4-hydroxy-phenyl)-propylidenehydrazide]

isonicotinic acid-[1-(4-hydroxy-phenyl)-propylidenehydrazide]

4-(1-oxopropyl)phenyl acetate

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

Refernces

• 1、 Day, Craig,Jia, Xin,Wei, Lanfeng,Xu, Liang,Zu, Weisai. "Dual aminoquinolate diarylboron and nickel catalysed metallaphotoredox platform for carbon-oxygen bond construction". supporting information. p. 8273 - 8276. Retrieved 2020/08/17.
• 2、 Thiruvengetam, Prabaharan,Chakravarthy, Rajan Deepan,Chand, Dillip Kumar. "A molybdenum based metallomicellar catalyst for controlled and chemoselective oxidation of activated alcohols in aqueous medium". . p. 123 - 133. Retrieved 2019/07/19.