3-Methyl-4'-nitrobenzophenone

Base Information

• Chemical Name: 3-Methyl-4'-nitrobenzophenone
• CAS No.: 131822-45-2
• Molecular Formula: C14H11NO3
• Molecular Weight: 241.246
• Hs Code.: 2914700090
• DSSTox Substance ID: DTXSID60574515
• Wikidata: Q82463585
• Mol file: 131822-45-2.mol

Synonyms:3-METHYL-4'-NITROBENZOPHENONE;131822-45-2;(3-methylphenyl)-(4-nitrophenyl)methanone;MFCD00505992;3-Methyl-4/'-nitrobenzophenone;DTXSID60574515;AKOS016018321;(3-Methylphenyl)(4-nitrophenyl)methanone;Methanone, (3-methylphenyl)(4-nitrophenyl)-

Chemical Property of 3-Methyl-4'-nitrobenzophenone

Chemical Property:

• Vapor Pressure: 3.67E-07mmHg at 25°C
• Boiling Point: 417°C at 760 mmHg
• Flash Point: 202.8°C
• PSA: 62.89000
• Density: 1.232g/cm³
• LogP: 3.65740
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 241.07389321
• Heavy Atom Count: 18
• Complexity: 316

Purity/Quality:

97% ^*data from raw suppliers

3-methyl-4'-nitrobenzophenone 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)[N+](=O)[O-]

Technology Process of 3-Methyl-4'-nitrobenzophenone

There total 7 articles about 3-Methyl-4'-nitrobenzophenone 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%

p-nitrobenzene iodide (636-98-6) + carbon monoxide (201230-82-2) + m-tolylboronic acid (17933-03-8) → (4-nitrophenyl)(m-tolyl)methanone (131822-45-2)

Guidance literature:

With C₅₇H₄₃IP₂Pd; potassium carbonate; In 1,4-dioxane; at 90 ℃; for 12h; under 3750.38 Torr; Autoclave;

DOI:10.1016/j.jorganchem.2009.10.001

Reference yield: 84.0%

m-tolylboronic acid (17933-03-8) + 4-nitrobenzaldehdye (555-16-8) → (4-nitrophenyl)(m-tolyl)methanone (131822-45-2)

Guidance literature:

With potassium phosphate; water; C₃₄H₂₉BN₂O₂OsP₂; In toluene; at 100 ℃; for 24h;

DOI:10.1021/acs.organomet.1c00533

Reference yield: 63.0%

sodium m-tolyltrihydroxyborate + 9-methyl-9H-fluorene-9-carbonyl chloride (82102-37-2) + para-nitrophenyl bromide (586-78-7) → (4-nitrophenyl)(m-tolyl)methanone (131822-45-2)

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

upstream raw materials:

4-nitro-benzoyl chloride

toluene

p-nitrobenzene iodide

carbon monoxide

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