4,4'-Dimethoxybenzophenone

Base Information

• Chemical Name: 4,4'-Dimethoxybenzophenone
• CAS No.: 90-96-0
• Molecular Formula: C15H14O3
• Molecular Weight: 242.274
• Hs Code.: 29145000
• European Community (EC) Number: 202-028-0
• NSC Number: 4191
• UNII: XM6ZQ9ZM6E
• DSSTox Substance ID: DTXSID50237985
• Nikkaji Number: J42.325D
• Wikidata: Q72467674
• ChEMBL ID: CHEMBL2413410
• Mol file: 90-96-0.mol

Synonyms:4,4'-dimethoxybenzophenone

Chemical Property of 4,4'-Dimethoxybenzophenone

Chemical Property:

• Appearance/Colour: white to light yellow crystal powder
• Melting Point: 90-93 °C(lit.)
• Refractive Index: 1.5570 (estimate)
• Boiling Point: 391.3 °C at 760 mmHg
• Flash Point: 182 °C
• PSA: 35.53000
• Density: 1.123 g/cm³
• LogP: 2.93480
• Storage Temp.: Store below +30°C.
• Solubility.: Chloroform (Slightly), Ethyl Acetate (Slightly)
• Water Solubility.: It is insoluble in water, soluble in ethanol.
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 242.094294304
• Heavy Atom Count: 18
• Complexity: 235

Purity/Quality:

99% ^*data from raw suppliers

4,4''-Dimethoxybenzophenone ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)OC
• Uses: 4,4'-Dimethoxybenzophenone is used in the organic synthesis. It also acts as a pharmaceutical intermediate. It is an important raw material and intermediate used in Organic Synthesis, Pharmaceuticals, Agrochemicals and Dyestuff.

Technology Process of 4,4'-Dimethoxybenzophenone

There total 398 articles about 4,4'-Dimethoxybenzophenone 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: 67.0%

1-bromo-4-methoxy-benzene (104-92-7) + acetic anhydride (108-24-7) → bis(p-methoxyphenyl)methanone (90-96-0) + methoxybenzene (100-66-3) + 1-(4-methoxyphenyl)ethanone (100-06-1)

Guidance literature:

With 3-chloroprop-1-ene; cobalt(II) bromide; zinc; trifluoroacetic acid; In acetonitrile; for 2h;

DOI:10.1021/jo0352169

Reference yield: 62.0%

carbon monoxide (201230-82-2) + para-iodoanisole (696-62-8) → bis(p-methoxyphenyl)methanone (90-96-0) + methoxybenzene (100-66-3) + 4-methoxybenzoic acid (100-09-4) + 1,2-bis(4-methoxyphenyl)-1,2-ethanedione (1226-42-2)

Guidance literature:

With sodium hydroxide; iron pentacarbonyl; tetrabutylammomium bromide; In water; benzene; at 70 ℃; for 48h; Further byproducts given;

Reference yield: 54.0%

1,1-bis(4-methoxyphenyl)ethane (10543-21-2) → bis(p-methoxyphenyl)methanone (90-96-0) + 1-(4-methoxyphenyl)ethanone (100-06-1)

Guidance literature:

With hydrogenchloride; sodium nitrite; In water; at 23 ℃; for 3h; Sealed tube;

DOI:10.1021/acs.orglett.1c01303

upstream raw materials:

methanol

sodium methylate

hexa-N-methyl-4,4'-carbonyl-di-anilinium; dichloride

Perbenzoic acid

Downstream raw materials:

1,1-Bis(4-hydroxyphenyl)pentane

1,1-bis-(4-methoxyphenyl)ethylene

1,1,6,6-tetrakis(p-methoxyphenyl)hexa-2,4-diyne-1,6-diol

1,1-bis(4-methoxyphenyl)-2,2-diphenylethan-1-ol

Refernces

• 1、 Fu, Changchun,Linden, Anthony,Heimgartner, Heinz. "1,3-Oxathiolanes from the reaction of aromatic and enolized thioketones with monosubstituted oxiranes". . p. 2833 - 2847. Retrieved 2003.
• 2、 Sun, Tao,Wang, Qingbing,Bi, Yunke,Chen, Xinli,Liu, Lisha,Ruan, Chunhui,Zhao, Zhifeng,Jiang, Chen. "Supramolecular amphiphiles based on cyclodextrin and hydrophobic drugs". . p. 2644 - 2654. Retrieved 2017.
• 3、 Hu, Yingying,Shao, Yu,Zhang, Shuwei,Yuan, Yuan,Sun, Zheng,Yuan, Yu,Jia, Xiaodong. "AIBN initiated functionalization of the benzylic sp3 C[sbnd]H and C[sbnd]C bonds in the presence of dioxygen". supporting information. . Retrieved 2021/02/01.
• 4、 Zhao, Jianyou,Shen, Tong,Sun, Zhihui,Wang, Nengyong,Yang, Le,Wu, Jintao,You, Huichao,Liu, Zhong-Quan. "Site-Specific Oxidation of (sp3)C-C(sp3)/H Bonds by NaNO2/HCl". . p. 4057 - 4061. Retrieved 2021/05/26.