4-Methoxy-3-nitrophenyl phenyl ketone

Base Information

• Chemical Name: 4-Methoxy-3-nitrophenyl phenyl ketone
• CAS No.: 82571-94-6
• Molecular Formula: C14H11NO4
• Molecular Weight: 257.246
• European Community (EC) Number: 279-997-1
• DSSTox Substance ID: DTXSID401002798
• Nikkaji Number: J320.415D
• Wikidata: Q82997078
• Mol file: 82571-94-6.mol

Synonyms:4-Methoxy-3-nitrophenyl phenyl ketone;82571-94-6;(4-methoxy-3-nitrophenyl)-phenylmethanone;(4-methoxy-3-nitrophenyl)(phenyl)methanone;EINECS 279-997-1;Oprea1_173055;SCHEMBL10585792;PDAVXJYHYUUFEY-UHFFFAOYSA-N;DTXSID401002798;AKOS002320577;(4-Methoxy-3-nitrophenyl)phenyl ketone;EU-0033386;Methanone, (4-methoxy-3-nitrophenyl)phenyl-

Chemical Property of 4-Methoxy-3-nitrophenyl phenyl ketone

Chemical Property:

• Vapor Pressure: 2.26E-07mmHg at 25°C
• Boiling Point: 423.3°Cat760mmHg
• Flash Point: 190.4°C
• PSA: 72.12000
• Density: 1.264g/cm³
• LogP: 3.35760
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 257.06880783
• Heavy Atom Count: 19
• Complexity: 333

Purity/Quality:

99% ^*data from raw suppliers

(4-METHOXY-3-NITRO-PHENYL)-PHENYL-METHANONE Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2)[N+](=O)[O-]

Technology Process of 4-Methoxy-3-nitrophenyl phenyl ketone

There total 6 articles about 4-Methoxy-3-nitrophenyl phenyl ketone 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:

4-methoxy-3-nitrobenzoic acid (89-41-8) → 4-methoxy-3-nitro-benzophenone (82571-94-6)

Guidance literature:

Multi-step reaction with 2 steps

1: Cl(CO)2Cl, DMF / CH₂Cl₂ / Ambient temperature

2: AlCl₃ / 4 h / Ambient temperature

With aluminium trichloride; oxalyl dichloride; N,N-dimethyl-formamide; In dichloromethane;

DOI:10.1021/jo970571i

Reference yield:

4-Methoxybenzophenone (611-94-9) → 4-methoxy-3-nitro-benzophenone (82571-94-6)

Guidance literature:

With nitric acid; acetic anhydride; at 0 ℃;

Reference yield:

4-methoxy-3-nitrobenzoyl chloride (10397-28-1) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → 4-methoxy-3-nitro-benzophenone (82571-94-6)

Guidance literature:

With aluminium trichloride; for 4h; Ambient temperature;

DOI:10.1021/jo970571i

upstream raw materials:

4-Methoxybenzophenone

4-chloro-3-nitrobenzophenone

sodium methylate

4-methoxy-3-nitrobenzaldehyde

Downstream raw materials:

4-hydroxy-3,3'-dinitro-benzophenone

5-benzoyl-2-methoxyaniline

4-benzoyl-N-methyl-2-nitroaniline

4-methoxy-3,5,3'-trinitro-benzophenone

Refernces