4-Methoxy-3'-methylbenzophenone

Base Information

• Chemical Name: 4-Methoxy-3'-methylbenzophenone
• CAS No.: 53039-63-7
• Molecular Formula: C15H14O2
• Molecular Weight: 226.275
• DSSTox Substance ID: DTXSID00499495
• Nikkaji Number: J2.360.637B
• Wikidata: Q82350312
• Mol file: 53039-63-7.mol

Synonyms:4-METHOXY-3'-METHYLBENZOPHENONE;53039-63-7;(4-methoxyphenyl)-(3-methylphenyl)methanone;(4-methoxyphenyl)(3-methylphenyl)methanone;MFCD01311584;SCHEMBL446872;DTXSID00499495;DTMWWGQISMHXNL-UHFFFAOYSA-N;3-Methyl-[4'-methoxy]-benzophenone;4-Methoxyphenyl 3-methylphenyl ketone;AKOS009347139

Chemical Property of 4-Methoxy-3'-methylbenzophenone

Chemical Property:

• Vapor Pressure: 9.25E-06mmHg at 25°C
• Melting Point: 55–56°C
• Boiling Point: 373oC at 760 mmHg
• Flash Point: 168.5oC
• PSA: 26.30000
• Density: 1.088g/cm3
• LogP: 3.23460
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 226.099379685
• Heavy Atom Count: 17
• Complexity: 254

Purity/Quality:

97% ^*data from raw suppliers

4-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=C(C=C2)OC

Technology Process of 4-Methoxy-3'-methylbenzophenone

There total 27 articles about 4-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: 93.0%

2-(4-methoxyphenyl)-5,5-dimethyl-1,3,2-dioxaborolane (213596-33-9) + (1H-pyrrol-1-yl)(m-tolyl)methanone → (4-methoxyphenyl)(3-methylphenyl)methanone (53039-63-7)

Guidance literature:

With bis(1,5-cyclooctadiene)nickel ⁽⁰⁾; potassium phosphate; 1,1'-((2,4,6-trimethyl-1,3-phenylene)bis(methylene))bis(3-(2,6-diisopropylphenyl)-1H-imidazol-3-ium) chloride; In water; toluene; at 60 ℃; for 20h; Inert atmosphere; Darkness; Sealed tube;

DOI:10.1039/c7cc07457c

Reference yield: 89.0%

4-methoxyphenylboronic acid (5720-07-0) + 3-methylbenzoic acid anhydride (21436-44-2) → (4-methoxyphenyl)(3-methylphenyl)methanone (53039-63-7)

Guidance literature:

With NHC-Pd(II)-Im; sodium hydrogencarbonate; In water; at 50 ℃; for 12h; Inert atmosphere;

DOI:10.1016/j.tet.2012.05.016

Reference yield: 85.0%

sodium m-tolyltrihydroxyborate + 1-bromo-4-methoxy-benzene (104-92-7) + 9-methyl-9H-fluorene-9-carbonyl chloride (82102-37-2) → (4-methoxyphenyl)(3-methylphenyl)methanone (53039-63-7)

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

upstream raw materials:

(4-methoxyphenyl)(m-tolyl)methanol

methoxybenzene

3-Methylbenzoyl chloride

4-methoxybenzonitrile

Downstream raw materials:

4-hydroxy-3’-methylbenzophenone

(4-methoxyphenyl)(m-tolyl)methanol

(4-Dimethylamino-phenyl)-(4-methoxy-phenyl)-m-tolyl-methanol

(4-Methoxy-3-nitro-phenyl)-m-tolyl-methanone

Refernces

• 1、 Kim, Hyunseok,Park, Sangjune,Baek, Yonghyeon,Um, Kyusik,Han, Gi Uk,Jeon, Da-Hye,Han, Sang Hoon,Lee, Phil Ho. "Synthesis of diaryl ketones through oxidative cleavage of the C-C double bonds in N -Sulfonyl enamides". . p. 3486 - 3496. Retrieved 2018/04/14.
• 2、 -. "PHOTOACTIVATABLE FOULING-RESISTANT COPOLYMERS". Paragraph 00148; 00151. . Retrieved 2017/03/14.