2-Methylamino-5-nitrobenzophenone

Base Information

• Chemical Name: 2-Methylamino-5-nitrobenzophenone
• CAS No.: 4958-56-9
• Molecular Formula: C14H12N2O3
• Molecular Weight: 256.261
• Hs Code.: 2922399090
• European Community (EC) Number: 225-601-7
• DSSTox Substance ID: DTXSID70964281
• Nikkaji Number: J150.090B
• Wikidata: Q82946243
• Mol file: 4958-56-9.mol

Synonyms:2-Methylamino-5-nitrobenzophenone;4958-56-9;EINECS 225-601-7;[2-(methylamino)-5-nitrophenyl]-phenylmethanone;[2-(Methylamino)-5-nitrophenyl](phenyl)methanone;Methanone, [2-(methylamino)-5-nitrophenyl]phenyl-;(2-METHYLAMINO-5-NITRO-PHENYL)-PHENYL-METHANONE;2-Methylaminomethyl-5-nitrobenzophenone;(2-(Methylamino)-5-nitrophenyl)(phenyl)methanone;Methanone, (2-(methylamino)-5-nitrophenyl)phenyl-;SCHEMBL8578400;DTXSID70964281;2-methylamino-5-nitro-benzo-phenone;2-(Methylamino)-5-nitrobenzophenone;AKOS024330667;Benzophenone, 2-methylamino-5-nitro-;2-BENZOYL-N-METHYL-4-NITROANILINE;FT-0737957;[2-(Methylamino)-5-nitrophenyl](phenyl)methanone #

Chemical Property of 2-Methylamino-5-nitrobenzophenone

Chemical Property:

• Vapor Pressure: 4.82E-09mmHg at 25°C
• Refractive Index: 1.646
• Boiling Point: 471 °C at 760 mmHg
• Flash Point: 238.7 °C
• PSA: 74.92000
• Density: 1.288 g/cm³
• LogP: 3.46370
• Storage Temp.: -20°C, Inert atmosphere
• Solubility.: DMSO (Slightly, Sonicated), Methanol (Slightly, Heated, Sonicated)
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 256.08479225
• Heavy Atom Count: 19
• Complexity: 334

Purity/Quality:

99% ^*data from raw suppliers

(2-Methylamino-5-nitrophenyl)phenylmethanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)C2=CC=CC=C2

Technology Process of 2-Methylamino-5-nitrobenzophenone

There total 11 articles about 2-Methylamino-5-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: 68.0%

1-methyl-5-nitro-2-(2-oxo-2-phenylethyl)pyridin-1-ium iodide + Dimethylammonium sulphite (69639-75-4,79461-73-7) → [2-(methylamino)-5-nitrobenzo]phenone (4958-56-9)

Guidance literature:

In water; at 150 ℃; Sealed tube;

DOI:10.1515/hc-2017-0005

Reference yield: 60.0%

[2-methyl-5-nitropyrid-2(1H)-ylidene]acetophenone (1335201-72-3) → [2-(methylamino)-5-nitrobenzo]phenone (4958-56-9)

Guidance literature:

With sodium hydroxide; In ethanol; at 25 ℃; for 24h;

DOI:10.1007/s10593-011-0783-3

Reference yield: 52.0%

C14H13N2O3(1+)*ClO4(1-) (1335201-81-4) + methylamine (74-89-5) → [2-(methylamino)-5-nitrobenzo]phenone (4958-56-9)

Guidance literature:

In ethanol; N,N-dimethyl-formamide; at 25 ℃; for 20h;

DOI:10.1007/s10593-011-0783-3

upstream raw materials:

{[1-(2-Methylamino-5-nitro-phenyl)-1-phenyl-meth-(Z)-ylidene]-amino}-acetic acid

nimetazepam

3-benzoyl-2-methyl-5-nitropyridine

C₁₄H₁₃N₂O₃⁽¹⁺⁾*ClO₄^(1-)

Downstream raw materials:

nimetazepam

Refernces

• 1、 Garkushenko,Poendaev,Vorontsova,Sagitullina. "Nitropyridines 11.* recyclization of quaternary nitropyridinium salts into substituted nitroanilines". . p. 470 - 481. Retrieved 2012/01/13.
• 2、 Broxton, Trevor J.,Wright, Sallyanne. "Micellar Catalysis of Organic Reactions. 18. Basic Hydrolysis of Diazepam and Some N-Alkyl Derivatives of Nitrazepam". . p. 2965 - 2969. Retrieved 2007/10/02.