3-(2-Methoxyphenyl)propiophenone

Base Information

• Chemical Name: 3-(2-Methoxyphenyl)propiophenone
• CAS No.: 95465-72-8
• Molecular Formula: C16H16O2
• Molecular Weight: 240.302
• Hs Code.: 2914509090
• DSSTox Substance ID: DTXSID50517759
• Nikkaji Number: J3.118.854G
• Wikidata: Q82379929
• Mol file: 95465-72-8.mol

Synonyms:3-(2-METHOXYPHENYL)PROPIOPHENONE;95465-72-8;3-(2-Methoxyphenyl)-1-phenylpropan-1-one;MFCD03843044;SCHEMBL6204029;DTXSID50517759;AKOS010939329

Chemical Property of 3-(2-Methoxyphenyl)propiophenone

Chemical Property:

• Vapor Pressure: 5.18E-06mmHg at 25°C
• Boiling Point: 381.1oC at 760 mmHg
• Flash Point: 167.9oC
• PSA: 26.30000
• Density: 1.081g/cm3
• LogP: 3.51070
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 240.115029749
• Heavy Atom Count: 18
• Complexity: 256

Purity/Quality:

95% ^*data from raw suppliers

3-(2-methoxyphenyl)propiophenone 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=CC=C1CCC(=O)C2=CC=CC=C2

Technology Process of 3-(2-Methoxyphenyl)propiophenone

There total 24 articles about 3-(2-Methoxyphenyl)propiophenone 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: 98.0%

(2-methoxyphenyl)methanol (612-16-8) + acetophenone (98-86-2) → 3‐(2‐methoxyphenyl)‐1‐phenylpropan‐1‐one (95465-72-8)

Guidance literature:

With [{^CyPN(H)P}Co(CH₂SiMe₃)]-BAr^F₄; potassium tert-butylate; In toluene; at 120 ℃; for 24h; Inert atmosphere; Schlenk technique; Sealed tube; Green chemistry;

DOI:10.1021/acs.orglett.7b00106

Reference yield: 94.0%

1-Phenylethanol (98-85-1,13323-81-4) + (2-methoxyphenyl)methanol (612-16-8) → 3‐(2‐methoxyphenyl)‐1‐phenylpropan‐1‐one (95465-72-8)

Guidance literature:

With chlorine[2-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxypyridine](pentamethylcyclopentadienyl)iridium(III) chloride; potassium hydroxide; In water; at 80 ℃; for 14h; chemoselective reaction; Schlenk technique; Inert atmosphere;

DOI:10.1002/ejoc.202001550

Reference yield: 93.0%

2-methoxychalcone (5416-70-6) → 3‐(2‐methoxyphenyl)‐1‐phenylpropan‐1‐one (95465-72-8)

Guidance literature:

With formic acid; potassium ethyl xanthogenate; In N,N-dimethyl-formamide; at 130 ℃; for 1.5h; chemoselective reaction;

DOI:10.1021/acs.orglett.9b00635

upstream raw materials:

2-methoxychalcone

methyl iodide

(E)-3-(2-methoxylphenyl)-1-phenylprop-2-en-1-one

1-Phenyl-2-propen-1-ol

Downstream raw materials:

(+/-)-2-(3-methylbenzyl)-2-phenylchroman

(+/-)-2-[4-(tert-butyl)benzyl]-2-phenylchroman

1-methoxy-2-(3-phenylbut-3-en-1-yl)benzene

5-(2-methoxybenzyl)-N-(4-methoxybenzyl)-4-phenylthiazol-2-amine

Refernces

• 1、 Bains, Amreen K,Biswas, Ayanangshu,Adhikari, Debashis. "Nickel-Catalyzed Selective Synthesis of α-Alkylated Ketones via Dehydrogenative Cross-Coupling of Primary and Secondary Alcohols". supporting information. p. 47 - 52. Retrieved 2021/10/14.
• 2、 ?etinkaya, Bekir,Ero?lu, Zafer,Gülcemal, Süleyman,Metin, ?nder,Ovezova, Mamajan. "Unveiling the catalytic nature of palladium-N-heterocyclic carbene catalysts in the α-alkylation of ketones with primary alcohols". supporting information. p. 10896 - 10908. Retrieved 2021/08/17.