2044-88-4

Basic information

• Product Name: N-methyl-2,4-dinitroaniline
• Synonyms: 2,4-DINITROMETHYLANILINE;N-(2,4-Dinitrophenyl)methanamine;N-Methyl-2,4-dinitrobenzenamine;1-(MethylaMino)-2,4-dinitrobenzene;NSC 36958;N-(2,4-Dinitrophenyl)-N-methylamine;N-methyl-2,4-dinitroaniline ###2044-88-4
• CAS NO: 2044-88-4
• Molecular Formula: C₇H₇N₃O₄
• Molecular Weight: 197.15
• EINECS: 218-062-4
• Product Categories: Amines;Aromatics
• Mol File: 2044-88-4.mol
• Article Data: 39

Chemical Properties

• Melting Point: 171-172°C
• Boiling Point: 334.23°C (rough estimate)
• Flash Point: 168.4 °C
• Appearance: /
• Density: 1.5115 (rough estimate)
• Vapor Pressure: 3.27E-05mmHg at 25°C
• Refractive Index: 1.5860 (estimate)
• PKA: -4.54±0.25(Predicted)
• CAS DataBase Reference: N-methyl-2,4-dinitroaniline(CAS DataBase Reference)
• NIST Chemistry Reference: N-methyl-2,4-dinitroaniline(2044-88-4)
• EPA Substance Registry System: N-methyl-2,4-dinitroaniline(2044-88-4)

Safety Data

• Hazardous Substances Data: 2044-88-4(Hazardous Substances Data)

Usage

Chemical Properties

Yellow Powder

InChI:InChI=1/C7H7N3O4/c1-8-6-3-2-5(9(11)12)4-7(6)10(13)14/h2-4,8H,1H3

Upstream product

• 579-10-2 N-acetyl-N-methylaniline 
• 67-56-1 methanol 
• 97-00-7 1-chloro-2,4-dinitro-benzene 
• 74-89-5 methylamine 
• 64-17-5 ethanol 
• 100-61-8 N-methylaniline 
• 81676-70-2 2,4-dinitro-N-methyl-N-β-cyanoethylaniline 
• 2032-35-1 Bromoacetaldehyde diethyl acetal 
• 19255-35-7 1-methyl-1-(2,4-dinitrophenyl)hydrazine 
• 16698-03-6 N-nitro-N-methyl-4-nitroaniline 
• 7697-37-2 nitric acid 
• 121-69-7 N,N-dimethyl-aniline 
• 7664-93-9 sulfuric acid 
• 102877-65-6 N-methyl-N-(2-nitrophenyl)nitramine 

Downstream Products

• 19092-03-6 N-methyl-2,4-dinitro-N-nitroaniline 
• 58538-01-5 N-methyl-N-nitroso-2,4-dinitroaniline 
• 74180-10-2 N-(2,4-Dinitro)phenyl-N'-ethyl-N-methylbenzamidine 
• 103884-26-0 5-amino-1-methylbenzimidazole-4-carbonitrile 
• 103884-29-3 5-(N-benzoylguanidino)-1-methylbenzimidazole-4-carbonitrile 
• 103884-27-1 5-<(N-benzoyl(thiocarbamoyl))amino>-1-methylbenzimidadole-4-carbonitrile 
• 103884-28-2 5-<(N-benzoyl-S-methyl(isothiocarbamoyl))amino>-1-methylbenzimidazole-4-carbonitrile 
• 1022-07-7 N-methylpicramide 
• 609-24-5 2,4,6-triaminophenol 
• 41939-61-1 N₁-methyl-4-nitrobenzene-1,2-diamine 
• 106377-58-6 benzenesulfonic acid-(N-methyl-2,4-dinitro-anilide) 
• 479-45-8 tetryl 
• 1817-73-8 2-bromo-4,6-dinitroaniline 
• 2784-96-5 N¹-methyl-2-nitro-p-phenylenediamine 

Relevant articles and documents

A NEW METHOD FOR EVALUATING THE STERIC HINDRANCE BY SUBSTITUENT

New steric parameter, Οs, evaluating the steric hindrance around the reaction center was defined on the basis of molecular mechanics.

Alkaline Hydrolysis of N-Methyl-2,4-dinitroacetanilide and N-Alkyl-N-(5-nitro-2-pyridyl)acetamides

The kinetics of the alkaline hydrolysis of N-methyl-2,4-dinitroacetanilide (2), N-ethyl- (3), and N-methyl-N-(5-nitro-2-pyridyl)acetamide (4) was carried out.The reaction path consists of two stages: the first one is the rate-limiting formation of the first tetrahedral intermediate (monoanionic) and the second one the fast decomposition of the intermediate.The latter fast decomposition of the intermediate (monoanionic) involves two processes: one is the direct decomposition of the intermediate to the products and the other is a proton abstraction of the hydroxyl group of the intermediate by -OH giving the second tetrahedral intermediate (dianionic), followed by its deconposition to the products.For the alkaline hydrolysis of 2-4, the decomposition of the first intermediate occurred predominantly via the latter process.

Flavin mimetics: Synthesis and photophysical properties

We report the synthesis of new isoalloxazines using a microwave-assisted approach to make N-substituted-2-nitroanilines followed by one-pot reduction and condensation via Hemmerich's method. The influence of substituents on positions 7, 8, and 10 of flavin core on the optical properties is investigated. The aliphatic functionalities on N10 give rise to quantum yields of 0.7, while aromatic side-chains quench fluorescence. Relaxed geometries (DFT) of chiral and achiral derivatives have been used for TD-DFT calculations, which yielded good agreement with the experimental UV and CD data.

Chemoselective Deprotection of Sulfonamides under Acidic Conditions: Scope, Sulfonyl Group Migration, and Synthetic Applications

Chemoselective acidic hydrolysis of sulfonamides with trifluoromethanesulfonic acid has been evaluated as a deprotection method and further extended to more complex synthetic applications. In contrast to conventional troublesome sulfonamide hydrolysis, a near-stoichiometric amount of acid was found to be sufficient to bring about efficient deprotection of various neutral or electron-deficient N-arylsulfonamides, whereas electron-rich substrates provided sulfonyl group migration products. The deprotection method developed is fully selective for N-arylsulfonamides, and the possibility to discriminate among various different sulfonamides is demonstrated.

Pd(OAc)2-catalyzed dinitration reaction of aromatic amines

Taking advantage of Pd(OAc)2-catalyzed dinitration reactions with Bi(NO3)3·5H2O in trifluoroethanol (TFE) and trifluoroacetic acid (TFA), we have developed an efficient and practical method for the synthesis of secondary dinitro-aromatic amines. The products could be applied to the preparation of 5-amine-N-methyl-benzimidazolone, the azo-dyes, economic advantages. The method has also been expanded to the dinitration reaction of some tertiary aromatic amines.

Compounds for use in inhibiting HIV capsid assembly

The present invention relates to a compound or a pharmaceutically acceptable salt or solvate thereof for use in inhibiting HIV capsid assembly, the compound comprising the core structure wherein E is CR7or S, and wherein f is 0 or 1, and wherein in case E is S, f is 0, and wherein the core structure is at least substituted in 2 and 4 position, and wherein the residue R6 and R7, are, independently of each other, selected from the group consisting of -H, -D, -alkyl, alkoxy, alkenyl, alkynyl, halides, -NO2, - OH, - NH2, -NHR4#, -CN, -S(O)R4#, -SO2R4#, -P(O)R4#R5#, -P(O)(OR4#)R5#, - P(O)(OR4#)(OR5#), -C(O)NR4#R5#, -C(O)SR4#, -C(O)R4#, -C(O)O-R4#, alkoxy and glycol chains; and wherein R6 may optionally form a cyclic residue, with a further substituent present 5 or 6 position, and wherein R4# and R5# are, independently of each other, selected from the group consisting of -H, -alkyl, -alkenyl, - heterocycloalkyl, aryl and heteroaryl.

COMPOUNDS FOR USE IN INHIBITING HIV CAPSID ASSEMBLY

The present invention relates to a compound or a pharmaceutically acceptable salt or solvate thereof for use in inhibiting HIV capsid assembly, the compound comprising the core structure wherein E is CR7or S, and wherein f is 0 or 1, and wherein in case E is S, f is 0, and wherein the core structure is at least substituted in 2 and 4 position, and wherein the residue R6 and R7, are, independently of each other, selected from the group consisting of -H, -D, -alkyl, alkoxy, alkenyl, alkynyl, halides, -NO2, - OH, -NH2, -NHR4#, -CN, - S(O)R4#, -SO2R4#, -P(O)R4#R5#, -P(O)(OR4#)R5#, -P(O)(OR4#)(OR5#), -C(O)NR4#R5#, - C(O)SR4#, -C(O)R4#, -C(O)O-R4#, alkoxy and glycol chains; and wherein R6 may optionally form a cyclic residue, with a further substituent present 5 or 6 position, and wherein R4# and R5# are, independently of each other, selected from the group consisting of -H, -alkyl, -alkenyl, -heterocyclo alkyl, aryl and heteroaryl.

PROCESS FOR PREPARING BENDAMUS TINE HYDROCHLORIDE MONOHYDRATE

The present invention provide processes for the preparation of Bendamustine hydrochloride monohydrate of formula (I) The present application also provides a process of purification of Bendamustine hydrochloride or monohydrate to get substantially pure Bendamustine hydrochloride monohydrate crystalline Form-SM. The said Bendamustine hydrochloride monohydrate crystalline Form-SM is characterized by X-ray powder diffraction pattern comprising at least 5 characteristic peaks selected from the XRPD 2 theta degrees peaks at 7.42, 10.60, 11.17, 16.43, 17.94, 22.89, 26.33, 28.77, 30.28, 31.92, 40.89±0.1 2θ°. The present application also provides a process for the preparation of Bendamustine hydrochloride monohydrate crystalline Form-SM useful in making pharmaceutical composition for the treatment of cancer or similar proliferative disorders.

Efficient synthesis of N-methylamides and amines via 4-(alkylamino)benzyl- N-methylamine as a new protecting group

4-(Alkylamino)benzyl-N-methylamine is a good protecting group for the synthesis of N-methylamides and amines. The N-debenzylation of N-methylamides and amines can be carried out selectively and efficiently under condition using trifluoroacetic acid (TFA).

2, 4 -DIAMINOPYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS

The present invention relates to novel pyrimide derivatives of formula (I): that are useful as kinase inhibitors. More particularly, the present invention relates to novel pyrimidine compounds, methods for their preparation, pharmaceutical compositions containing these compounds and uses of these compounds in the treatment of proliferative disorders.