3-Methoxy-3'-methylbenzophenone

Base Information

• Chemical Name: 3-Methoxy-3'-methylbenzophenone
• CAS No.: 71372-40-2
• Molecular Formula: C15H14O2
• Molecular Weight: 226.275
• Hs Code.: 2914509090
• DSSTox Substance ID: DTXSID70457628
• Nikkaji Number: J1.648.905K
• Wikidata: Q82280540
• Mol file: 71372-40-2.mol

Synonyms:3-METHOXY-3'-METHYLBENZOPHENONE;71372-40-2;(3-methoxyphenyl)-(3-methylphenyl)methanone;MFCD01311557;SCHEMBL8808079;3'-Methyl-3-methoxybenzophenone;DTXSID70457628;AKOS010016649;(3-METHOXYPHENYL)(3-METHYLPHENYL)METHANONE

Chemical Property of 3-Methoxy-3'-methylbenzophenone

Chemical Property:

• Vapor Pressure: 8.06E-06mmHg at 25°C
• Boiling Point: 374.9°C at 760 mmHg
• Flash Point: 169.8°C
• PSA: 26.30000
• Density: 1.088g/cm³
• LogP: 3.23460
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 226.099379685
• Heavy Atom Count: 17
• Complexity: 262

Purity/Quality:

98%Min ^*data from raw suppliers

3-Methoxy-3'-methylbenzophenone 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC=C1)C(=O)C2=CC(=CC=C2)OC

Technology Process of 3-Methoxy-3'-methylbenzophenone

There total 6 articles about 3-Methoxy-3'-methylbenzophenone 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: 97.0%

3-methoxyphenylboronic acid (10365-98-7,1107579-37-2) + 3-methylbenzoic acid anhydride (21436-44-2) → (3-methoxyphenyl)(m-tolyl)methanone (71372-40-2)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; In 1,4-dioxane; at 80 ℃; for 5h;

DOI:10.1246/bcsj.75.137

Reference yield: 90.0%

sodium m-tolyltrihydroxyborate + 3-methoxyphenyl bromide (2398-37-0) + 9-methyl-9H-fluorene-9-carbonyl chloride (82102-37-2) → (3-methoxyphenyl)(m-tolyl)methanone (71372-40-2)

Guidance literature:

With palladium(II) acetylacetonate; N-ethyl-N,N-diisopropylamine; bis(dibenzylideneacetone)-palladium⁽⁰⁾; tri tert-butylphosphoniumtetrafluoroborate; di(1-adamantyl)-N-butylphosphine hydroiodide; In toluene; at 80 ℃; for 16h; Inert atmosphere;

DOI:10.1021/ol5003362

Reference yield: 71.0%

N-(tert-butyl)-3-methoxybenzamide (49834-28-8) + m-tolylmagnesium bromide (28987-79-3) → (3-methoxyphenyl)(m-tolyl)methanone (71372-40-2)

Guidance literature:

N-(tert-butyl)-3-methoxybenzamide; m-tolylmagnesium bromide; With chromium chloride; chloro-trimethyl-silane; In tetrahydrofuran; at 20 ℃; for 12h;

With water; ammonium chloride;

DOI:10.1021/acscatal.8b01380

upstream raw materials:

3-methoxybenzonitrile

m-tolylmagnesium bromide

3-methoxyphenylboronic acid

3-methylbenzoic acid anhydride

Downstream raw materials:

C₂₂H₂₂N₂O₃S

1-((3-methoxyphenyl)(m-tolyl)methyl)-3,5-dimethylbenzene

1-((4-(tert-butyl)phenyl)(3-methoxyphenyl)methyl)-3-methylbenzene

Refernces

• 1、 Chen, Changpeng,Liu, Pei,Luo, Meiming,Zeng, Xiaoming. "Kumada Arylation of Secondary Amides Enabled by Chromium Catalysis for Unsymmetric Ketone Synthesis under Mild Conditions". . p. 5864 - 5868. Retrieved 2018/05/29.
• 2、 Kakino, Ryuki,Yasumi, Sayaka,Shimizu, Isao,Yamamoto, Akio. "Synthesis of unsymmetrical ketones by palladium-catalyzed cross-coupling reaction of carboxylic anhydrides with organoboron compounds". . p. 137 - 148. Retrieved 2007/10/03.