2,4,5-Trimethoxybenzophenone

Base Information

• Chemical Name: 2,4,5-Trimethoxybenzophenone
• CAS No.: 36897-00-4
• Molecular Formula: C16H16O4
• Molecular Weight: 272.301
• Hs Code.: 2914509090
• European Community (EC) Number: 253-262-5
• UNII: GV8N1JTF53
• DSSTox Substance ID: DTXSID20190376
• Nikkaji Number: J260.695J
• Wikidata: Q83062739
• ChEMBL ID: CHEMBL3093475
• Mol file: 36897-00-4.mol

Synonyms:2,4,5-Trimethoxybenzophenone;36897-00-4;EINECS 253-262-5;GV8N1JTF53;UNII-GV8N1JTF53;phenyl(2,4,5-trimethoxyphenyl)methanone;Methanone,phenyl(2,4,5-trimethoxyphenyl)-;2,4,5-trimethoxy-benzophenone;SCHEMBL4543074;CHEMBL3093475;DTXSID20190376;METHANONE, PHENYL(2,4,5-TRIMETHOXYPHENYL)-

Chemical Property of 2,4,5-Trimethoxybenzophenone

Chemical Property:

• Vapor Pressure: 4.43E-08mmHg at 25°C
• Refractive Index: 1.547
• Boiling Point: 444 °C at 760 mmHg
• Flash Point: 198 °C
• PSA: 44.76000
• Density: 1.136 g/cm³
• LogP: 2.94340
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 272.10485899
• Heavy Atom Count: 20
• Complexity: 312

Purity/Quality:

99% ^*data from raw suppliers

2,4,5-TRIMETHOXYBENZOPHENONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=CC(=C(C=C1C(=O)C2=CC=CC=C2)OC)OC

Technology Process of 2,4,5-Trimethoxybenzophenone

There total 8 articles about 2,4,5-Trimethoxybenzophenone 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: 93.0%

bromobenzene (108-86-1,52753-63-6) + asaraldehyde (4460-86-0,14374-62-0) → (phenyl)(2,4,5-trimethoxyphenyl)methanone (36897-00-4) + (phenyl)(2,4,5-trimethoxyphenyl)methanol (1308504-98-4)

Guidance literature:

With nickel(II) bromide dimethoxyethane; zinc; 1,2-bis-[(2,6-diisopropylphenyl)imino]acenaphthene; In tetrahydrofuran; at 70 ℃; for 24h;

DOI:10.1007/s11172-016-1321-3

Reference yield: 92.0%

1,2,4-trimethoxy-benzene (135-77-3) + benzoyl chloride (98-88-4) → (phenyl)(2,4,5-trimethoxyphenyl)methanone (36897-00-4)

Guidance literature:

With aluminum (III) chloride; In dichloromethane; at 0 ℃; for 6h;

DOI:10.1016/j.bmcl.2008.06.065

Reference yield: 80.0%

1,2,4-trimethoxy-benzene (135-77-3) + benzoic acid anhydride (93-97-0) → (phenyl)(2,4,5-trimethoxyphenyl)methanone (36897-00-4) + benzoic acid (65-85-0,8013-63-6)

Guidance literature:

With Cl^(1-)*C₅H₁₄NO⁽¹⁺⁾*3ZnCl₂; at 130 ℃; for 0.0833333h; Microwave irradiation; Green chemistry;

DOI:10.1039/c6ra03551e

upstream raw materials:

1,2,4-trimethoxy-benzene

benzoyl chloride

dimethyl sulfate

methyl iodide

Downstream raw materials:

2,4,5-trihydroxy-benzophenone

1-Phenyl-1-(2,4,5-trimethoxyphenyl)-propan-1-ol

Refernces

• 1、 Kodama, Takeshi,Ito, Takuya,Dibwe, Dya Fita,Woo, So-Yeun,Morita, Hiroyuki. "Syntheses of benzophenone-xanthone hybrid polyketides and their antibacterial activities". supporting information. p. 2397 - 2400. Retrieved 2017/05/10.
• 2、 Vekariya, Rakesh H.,Aubé, Jeffrey. "Hexafluoro-2-propanol-Promoted Intermolecular Friedel-Crafts Acylation Reaction". supporting information. p. 3534 - 3537. Retrieved 2016/08/16.