2-(3-Methoxyphenyl)-1-phenylethan-1-one

Base Information

• Chemical Name: 2-(3-Methoxyphenyl)-1-phenylethan-1-one
• CAS No.: 29955-26-8
• Molecular Formula: C15H14O2
• Molecular Weight: 226.275
• Hs Code.: 2914509090
• DSSTox Substance ID: DTXSID70374866
• Nikkaji Number: J2.024.731B
• Wikidata: Q82163438
• Mol file: 29955-26-8.mol

Synonyms:29955-26-8;2-(3-methoxyphenyl)-1-phenylethan-1-one;2-(3-methoxyphenyl)-1-phenylethanone;2-(3-Methoxyphenyl)acetophenone;Ethanone, 2-(3-methoxyphenyl)-1-phenyl-;3'-Methoxydeoxybenzoin;m-methoxybenzyl phenyl ketone;SCHEMBL904248;DTXSID70374866;PCPRLBDYPYGZOX-UHFFFAOYSA-N;MFCD00446972;1-phenyl-2-(3-methoxyphenyl)ethanone;AKOS009338871;2-(3'-Methoxylphenyl)-1-phenyl-1-ethanone;CS-0222477;EN300-111292;Z385417020

Chemical Property of 2-(3-Methoxyphenyl)-1-phenylethan-1-one

Chemical Property:

• Vapor Pressure: 2.05E-05mmHg at 25°C
• Melting Point: 41-42 °C(Solv: ligroine (8032-32-4))
• Boiling Point: 361.6oC at 760 mmHg
• Flash Point: 160.9oC
• PSA: 26.30000
• Density: 1.1g/cm3
• LogP: 3.12060
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 226.099379685
• Heavy Atom Count: 17
• Complexity: 243

Purity/Quality:

97% ^*data from raw suppliers

2-(3-Methoxyphenyl)acetophenone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=CC=CC(=C1)CC(=O)C2=CC=CC=C2

Technology Process of 2-(3-Methoxyphenyl)-1-phenylethan-1-one

There total 24 articles about 2-(3-Methoxyphenyl)-1-phenylethan-1-one 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: 92.0%

3-methoxyphenyl bromide (2398-37-0) + acetophenone (98-86-2) → 1′-(3-methoxyphenyl)-2′-phenylethan-2′-one (29955-26-8)

Guidance literature:

With FibreCat^TM 1000-D₇; sodium t-butanolate; In tetrahydrofuran; at 85 ℃; for 6h;

DOI:10.1016/j.tet.2003.12.065

Reference yield: 91.0%

1-chloro-3-methoxy-benzene (2845-89-8) + acetophenone (98-86-2) → 1′-(3-methoxyphenyl)-2′-phenylethan-2′-one (29955-26-8)

Guidance literature:

With C₄₁H₄₆Cl₂FeN₄Pd; potassium tert-butylate; In 1,4-dioxane; at 100 ℃; for 3h; Inert atmosphere;

DOI:10.1071/CH12035

Reference yield: 88.0%

N,N-diisopropyl benzamide (20383-28-2) + 1-methoxy-3-methyl-benzene (100-84-5) → 1′-(3-methoxyphenyl)-2′-phenylethan-2′-one (29955-26-8)

Guidance literature:

With lithium diisopropyl amide; In tetrahydrofuran; at 60 ℃; for 12h;

DOI:10.1007/s11426-021-1035-5

upstream raw materials:

benzoyl chloride

m-methoxybenzyl chloride

3-methoxyphenylacetic acid chloride

3-methoxyphenyl bromide

Downstream raw materials:

2-(3-methoxyphenyl)-1-phenylbutan-1-one

6-methoxy-3-phenyl-3,4-dihydroisoquinoline

3'-methoxy-deoxybenzoin oxime

2-(3-methoxyphenyl)-3,3-bis(methylthio)-1-phenylprop-2-en-1-one