Desoxyanisoin

Base Information

• Chemical Name: Desoxyanisoin
• CAS No.: 120-44-5
• Molecular Formula: C16H16O3
• Molecular Weight: 256.301
• Hs Code.: 2914509090
• European Community (EC) Number: 204-396-8
• NSC Number: 26660,8793
• UNII: T89TFW8HSV
• DSSTox Substance ID: DTXSID6074469
• Nikkaji Number: J236.424G
• Wikidata: Q72446222
• Metabolomics Workbench ID: 123339
• ChEMBL ID: CHEMBL13385
• Mol file: 120-44-5.mol

Synonyms:Desoxyanisoin;120-44-5;1,2-Bis(4-methoxyphenyl)ethanone;Deoxyanisoin;4,4'-Dimethoxydeoxybenzoin;Ethanone, 1,2-bis(4-methoxyphenyl)-;Deoxy-p-anisoin;Deoxy-4-anisoin;1,2-bis(4-methoxyphenyl)ethan-1-one;T89TFW8HSV;NSC-8793;EINECS 204-396-8;MFCD00008406;NSC-26660;4-Methoxybenzyl 4-methoxyphenyl ketone;AI3-25259;4'-Methoxy-2-(4-methoxyphenyl)acetophenone;Acetophenone, 4'-methoxy-2-(p-methoxyphenyl)-;deoxyanisoine;NSC8793;Desoxyanisoin, 98%;UNII-T89TFW8HSV;1,2-Di-p-anisylethanone;Oprea1_141732;4,4/'-Dimethoxydeoxybenzoin;CHEMBL13385;SCHEMBL457954;DTXSID6074469;1,2-Bis(p-methoxyphenyl)ethanone;NSC 8793;NSC26660;BBL010755;NSC 26660;STK572787;Ethanone,1,2-bis(4-methoxyphenyl)-;p-Methoxybenzyl p-methoxyphenyl ketone;1,2 bis-(4-methoxy-phenyl)-ethanone;AKOS000120573;4-Methoxybenzyl 4'-methoxyphenyl ketone;AS-30120;SY060875;2-(4-methoxyphenyl)-4'-methoxyacetophenone;4'-Methoxy-2-(p-methoxyphenyl)acetophenone;CS-0150396;FT-0624507;EN300-21052;1-(4-methoxyphenyl)-2-(4-methoxyphenyl)ethanone;A804508;SR-01000388834;J-004344;SR-01000388834-1

Chemical Property of Desoxyanisoin

Chemical Property:

• Appearance/Colour: white to slightly yellow crystals
• Vapor Pressure: 4.07E-07mmHg at 25°C
• Melting Point: 110-112 °C(lit.)
• Refractive Index: 1.558
• Boiling Point: 415.6 °C at 760 mmHg
• Flash Point: 196.9 °C
• PSA: 35.53000
• Density: 1.115 g/cm³
• LogP: 3.12920
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• Water Solubility.: Sparingly soluble in water.
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 256.109944368
• Heavy Atom Count: 19
• Complexity: 274

Purity/Quality:

98%,99%, ^*data from raw suppliers

1,2-Bis(4-methoxyphenyl)ethanone ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)CC(=O)C2=CC=C(C=C2)OC
• Uses: Deoxyanisoin react to produce a-bromo-4,4'-dimethoxy-deoxybenzoin, and this reaction could happen in the reagent of CCl4 and bromine.

Technology Process of Desoxyanisoin

There total 58 articles about Desoxyanisoin 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: 100.0%

1,2-bis(4-methoxyphenyl)-1,2-ethanediol (4464-76-0,39090-28-3,39090-30-7,42565-21-9,66768-20-5,122798-27-0) → 1,4-di(4-methoxyphenyl)ethanone (120-44-5)

Guidance literature:

With silica-supported orthophosphoric acid; In neat (no solvent); at 180 ℃; for 0.5h; Reagent/catalyst; Time; Catalytic behavior; Green chemistry;

DOI:10.1007/s13738-018-01582-2

Reference yield: 96.0%

1,2-bis(4-methoxyphenyl)-2-oxoethyl pivalate (1196070-11-7) → 1,4-di(4-methoxyphenyl)ethanone (120-44-5)

Guidance literature:

With N¹,N¹,N¹²,N¹²-tetramethyl-7,8-dihydro-6H-dipyrido[1,2-a:2,1'-c][1,4]diazepine-2,12-diamine; In N,N-dimethyl-formamide; at 20 ℃; Inert atmosphere;

DOI:10.1021/jo901815t

Reference yield: 94.0%

4,4'-dimethoxybenzoin (119-52-8) → 1,4-di(4-methoxyphenyl)ethanone (120-44-5)

Guidance literature:

With trimethylsilyl iodide; In chloroform; for 3h;

upstream raw materials:

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

4,4'-dimethoxydiphenylacetylene

2-hydroxy-2,3-bis-(4-methoxy-phenyl)-propionic acid

4,4'-dimethoxybenzoin

Downstream raw materials:

1,2-bis(4-methoxyphenyl)hexanone

1,2-bis-(4-methoxy-phenyl)-oct-1-en-3-yne

1,2-bis-(4-methoxy-phenyl)-propan-2-ol

4,4'-(1-chloroethene-1,2-diyl)bis(methoxybenzene)

Refernces

• 1、 Sakurai, Hidehiro,Imamoto, Yuka,Hirao, Toshikazu. "TiCl4-Zn induced reductive acylation of ketones with acylsilanes". . p. 44 - 45. Retrieved 2002.
• 2、 Kaplum, Vanessa,Cogo, Juliana,Sangi, Diego Pereira,Ueda-Nakamura, Tania,Corrêa, Arlene Gon?alves,Nakamura, Celso Vataru. "In vitro and in vivo activities of 2,3-diarylsubstituted quinoxaline derivatives against Leishmania amazonensis". . p. 3433 - 3444. Retrieved 2016.
• 3、 Dong, Shunxi,Feng, Xiaoming,He, Jun,Liu, Wen,Liu, Xiaohua,Pu, Maoping,Wu, Yun-Dong,Zhang, Tinghui. "Iron-Catalyzed Enantioselective Radical Carboazidation and Diazidation of α,β-Unsaturated Carbonyl Compounds". . p. 11856 - 11863. Retrieved 2021/08/16.
• 4、 Hou, Rong,Kang, Yang,Liang, Yong,Min, Xiaoyan,Wang, Tao,Zhang, Zunting. "An Oxidant- And Catalyst-Free Synthesis of Dibenzo[ a, c ]carbazoles via UV Light Irradiation of 2,3-Diphenyl-1 H -indoles". . . Retrieved 2021/12/13.