4-Methoxy-4'-nitrobenzophenone

Base Information

• Chemical Name: 4-Methoxy-4'-nitrobenzophenone
• CAS No.: 1151-94-6
• Molecular Formula: C14H11NO4
• Molecular Weight: 257.246
• Hs Code.: 2914700090
• European Community (EC) Number: 681-293-8
• NSC Number: 406625
• DSSTox Substance ID: DTXSID20324396
• Nikkaji Number: J554.774A
• Wikidata: Q82084019
• Mol file: 1151-94-6.mol

Synonyms:4-Methoxy-4'-nitrobenzophenone;1151-94-6;(4-methoxyphenyl)(4-nitrophenyl)methanone;(4-methoxyphenyl)-(4-nitrophenyl)methanone;Methanone, (4-methoxyphenyl)(4-nitrophenyl)-;4-Methoxy-4/'-nitrobenzophenone;MFCD00178348;NSC406625;(4-Methoxy-phenyl)-(4-nitro-phenyl)-methanone;Oprea1_310309;Oprea1_492845;SCHEMBL4689851;4-Methoxy-4?-nitrobenzophenone;4-Methoxy-4''-nitrobenzophenone;DTXSID20324396;4-(4-methoxybenzoyl)-nitrobenzene;CCG-40606;STK764103;AKOS001588368;NSC 406625;NSC-406625;AS-66433;CS-0313310;EU-0033558;FT-0633407;F71132;A803386;AE-848/01249012;SR-01000630735-1

Chemical Property of 4-Methoxy-4'-nitrobenzophenone

Chemical Property:

• Melting Point: 125-127oC
• Boiling Point: 435.3°Cat760mmHg
• Flash Point: 197.9°C
• PSA: 72.12000
• Density: 1.264g/cm³
• LogP: 3.35760
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 257.06880783
• Heavy Atom Count: 19
• Complexity: 323

Purity/Quality:

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

4-Methoxy-4''-nitrobenzophenone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)[N+](=O)[O-]
• Uses: 4-Methoxy-4'-nitrobenzophenone is used as an organic chemical synthesis intermediate.

Technology Process of 4-Methoxy-4'-nitrobenzophenone

There total 54 articles about 4-Methoxy-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: 98.0%

4-nitro-benzoyl chloride (122-04-3) + methoxybenzene (100-66-3) → 4-methoxy-4'-nitrobenzophenone (1151-94-6)

Guidance literature:

methoxybenzene; With zinc; at 60 ℃; for 6h; Inert atmosphere; Reflux;

4-nitro-benzoyl chloride; for 6h; Inert atmosphere; Reflux;

Reference yield: 98.0%

p-nitrobenzene iodide (636-98-6) + carbon monoxide (201230-82-2) + 4-methoxyphenylboronic acid (5720-07-0) → 4-methoxy-4'-nitrobenzophenone (1151-94-6)

Guidance literature:

With dibromido-(1,1'-diisopropyl-3,3'-ethylenedibenzimidazoline-2,2-diylidene)palladium(II); potassium carbonate; In toluene; at 120 ℃; for 3h; under 10343.2 Torr; Autoclave;

DOI:10.1002/aoc.5636

Reference yield: 97.0%

N-(4-nitrobenzoyl)succinimide (168090-27-5) + 4-methoxyphenylboronic acid (5720-07-0) → 4-methoxy-4'-nitrobenzophenone (1151-94-6)

Guidance literature:

With potassium phosphate; palladium diacetate; tricyclohexylphosphine; In toluene; at 110 ℃; for 4h; Inert atmosphere; Sealed tube;

DOI:10.1016/j.tetlet.2017.08.044

upstream raw materials:

4-nitro-benzoyl chloride

methoxybenzene

S-(p-nitrobenzoyl)mercaptoethane

4-Nitrobenzoesaeure-trifluormethansulfonsaeure-anhydrid

Downstream raw materials:

2-[4-(4-Methoxy-benzoyl)-phenyl]-2-phenyl-propionitrile

1-(4-methoxyphenyl)-1-(4-nitrophenyl)ethylene

N-(4-methylphenyl)-4-nitrobenzamide

4-methoxy-aniline

Refernces

• 1、 Davis et al.. "-". . p. 2913. Retrieved 1960.
• 2、 -. "Synthesis of biaryl ketones and biaryl diketones via carbonylative Suzuki-Miyaura coupling reactions catalyzed by bridged bis(N-heterocyclic carbene)palladium(II) catalysts". Page/Page column 20; 22-26. . Retrieved 2021/12/23.
• 3、 Shi, Xian-Lei,Sun, Benyu,Hu, Qianqian,Liu, Kun,Li, Pengyu,Wang, Juanjuan. "Recyclable polyetheretherketone fiber-supported N-heterocyclic carbene catalysts for nucleophilic acylation of fluorobenzenes". supporting information. p. 11390 - 11393. Retrieved 2020/10/12.