95-79-4

Basic information

• Product Name: 95-79-4
• Synonyms: Fast Red KBBase (6CI);o-Toluidine, 5-chloro- (8CI);2-Amino-4-chlorotoluene;2-Methyl-5-chloroaniline;3-Chloro-6-methylaniline;4-Chloro-2-aminotoluene;5-Chloro-2-methylaniline;5-Chloro-2-methylbenzenamine;5-Chloro-2-methylphenylamine;5-Chloro-2-toluidine;5-Chloro-o-toluidine;AccoFast Red KB base;Ansibase Red KB;Azoene Fast Red KB base;Fast Red KB amine;Fast Red KB salt;Fast Red KB salt Supra;Fast Red KB-T Base;Fast Red KBSsalt;Genazo Red KB soln;Hiltonil Fast Red KB base;Metrogen Red Former KBsoln;NSC 7094;Naphthosol Fast Red KB base;Pharmazoid Red KB;Red KB base;Spectrolene Red KB;Stable Red KB base
• CAS NO: 95-79-4
• Molecular Formula: C₇H₈ClN
• Molecular Weight: 141.61
• EINECS: 202-452-6
• Mol File: 95-79-4.mol

Chemical Properties

• Melting Point: 22℃
• Boiling Point: 237 °C at 760 mmHg
• Flash Point: 160 °C
• Appearance: clear yellow to light brown liquid after melting
• Density: 1.18 g/cm³
• Vapor Pressure: 0.0459mmHg at 25°C
• Refractive Index: 1.585
• Water Solubility: < 1 g/L (22℃)
• CAS DataBase Reference: 95-79-4(CAS DataBase Reference)
• NIST Chemistry Reference: 95-79-4(95-79-4)
• EPA Substance Registry System: 95-79-4(95-79-4)

Safety Data

• Hazard Codes: Xn:Harmful
• Statements: R22:; R36/37/38:; R40:
• Safety Statements: S26:; S36/37/39:; S45:
• Hazardous Substances Data: 95-79-4(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
95-79-4 is used as a chemical intermediate for the production of various pharmaceuticals. Its reactivity allows for the synthesis of complex organic compounds that are vital in the development of new medications.
Used in Research:
In the research field, 1,3-Dichloroacetone is employed as a reagent, facilitating the synthesis and study of various organic compounds. Its properties make it a valuable tool in advancing scientific understanding and innovation in organic chemistry.
Used in Organic Synthesis:
95-79-4 is utilized in the synthesis of a wide range of organic compounds. Its high reactivity enables the formation of new chemical bonds and the creation of diverse molecules with potential applications in various industries.

InChI:InChI=1/C7H8ClN/c1-5-2-3-6(8)4-7(5)9/h2-4H,9H2,1H3

Upstream product

• 611-22-3 N-(o-tolyl)hydroxylamine 
• 89-59-8 4-chloro-2-nitrotoluene 
• 67-56-1 methanol 
• 7647-01-0 hydrogenchloride 
• 95-53-4 o-toluidine 
• 2387-08-8 4,5-or4,6-dichloro-2-amino-toluene 
• 119-32-4 4-Methyl-3-nitroanilin 
• 106-43-4 para-chlorotoluene 
• 141-52-6 sodium ethanolate 
• 71-43-2 benzene 

Downstream Products

• 49872-65-3 (5-Chlor-2-methyl-phenyl)-biguanid 
• 57023-60-6 2-(5-chloro-2-methylphenyl)-1H-isoindole-1,3(2H)-dione 
• 1632-05-9 3-methyl-isoxazole-4,5-dione 4-[(5-chloro-2-methyl-phenyl)-hydrazone] 
• 708-40-7 1-Acetyl-6-chlorindazol 
• 82635-73-2 N-(5-chloro-2-methylphenyl)benzamidine 
• 83551-36-4 1,3-bis-(2-methyl-5-chloro)phenyl thiourea 
• 112079-93-3 tritertiobutyl-2,4,6 (methyl-2 chloro-5 anilino)-4 cyclohexadiene-2,5 one-1 
• 89409-25-6 N-(5-chloro-2-methylphenyl)-2,4-diphenyl-5,6,7,8-tetrahydroquinolinium trifluoromethanesulphonate 
• 698-25-9 6-chloro-1H-indazole 
• 3177-51-3 4-chloro-toluene-2-diazonium ; chloride 
• 22823-75-2 cis-2,2,3,4,5,6-hexachloro-6-methylcyclohex-3-enone 
• 22823-75-2 trans-2,2,3,4,5,6-hexachloro-6-methylcyclohex-3-enone 
• 220462-68-0 3-benzyl-5-chloro-4-hydroxy-8-methyl-1H-quinolin-2-one 
• 240404-60-8 2-<(5-chloro-2-methylphenyl)amino>benzene-1,3-dicarboxylic acid 

Relevant articles and documents

Green preparation method of palatinib hydrochloride (by machine translation)

The invention belongs to the technical field of chemical synthesis of medicines, and belongs to the technical field of pharmaceutical chemistry. The invention particularly relates to a green preparation method. The o-methyl aniline and N - chlorosuccinimide are chlorinated to obtain 2 - methyl -5 - chloro- aniline; the 6 - chlorine - 222H-indole hydrochloride is obtained by reacting with the nitrous acid compound; N-methyl -6 -chloro - 222H-indole; under the participation of dimethyl sulfoxide, 3 - 2-dimethyl 3 - chlorine -6 - 222H-indazole; and the like. A reaction with 2 - chloro -4 - amino - pyrimidine and iodomethane gave N - (2 -chloropyrimidine -4 -yl) - N N-methyl -2, 3 -dimethyl - 222H-indazole -6 - amine; and finally, a pimatinib hydrochloride salt was obtained by reaction with 3 - sulfanilide -4 - methyl - aniline. The method is low in raw material price, simple to operate, low in operation risk, capable of avoiding waste acid generation, high in reaction yield, and high in purity. (by machine translation)

Superior activity and selectivity of heterogenized cobalt catalysts for hydrogenation of nitroarenes

The development of improved catalysts for highly selective hydrogenation of nitroarenes is described. For this purpose Co nanoparticles were supported on ordered mesoporous carbon CMK-3 and characterized in detail. The optimal CMK-3-CoPc catalyst exhibits excellent hydrogenation activity for several (hetero)aromatic nitro compounds and yielded the corresponding anilines under mild conditions (40 °C, 20 bar H2).

Pd-Pt/modified GO as an efficient and selective heterogeneous catalyst for the reduction of nitroaromatic compounds to amino aromatic compounds by the hydrogen source

In this work, different nitroaromatic compounds were successfully reduced to their corresponding aromatic amines with excellent conversion and selectivity in methanol at 50?°C by using Pd-Pt nanoparticles immobilized on the modified grapheme oxide (m-GO) and hydrogen as the reducing source. The catalytic efficiency of Pd and Pd-Pt loading on the modified GO was investigated for the reduction of various nitroaromatic compounds, and the Pd-Pt/m-GO system demonstrated the highest conversion and selectivity. The catalyst was characterized by different techniques including FT-IR, Raman, UV–Vis, XRD, BET, XPS, FESEM, EDS, and TEM. The metal nanoparticles with the size of less than 10?nm were uniformly distributed on the m-GO. The catalyst could be reused at least five times without losing activity, showing the stability of the catalyst structure. Finally, the efficiency of the prepared catalyst was compared with Pd-Pt/AC, and Pd-Pt/GO catalysts.

Biomass-Derived Catalysts for Selective Hydrogenation of Nitroarenes

Development of catalytically active materials from biowaste represents an important aspect of sustainable chemical research. Three heterogeneous materials were synthesized from inexpensive biomass-based chitosan and abundant Co(OAc)2 using complexation followed by pyrolysis at various temperatures. These materials were applied in the catalytic hydrogenation of nitroarenes using molecular hydrogen. A variety of diversely functionalized nitroarenes including some pharmaceutically active compounds were converted into aromatic amines in high yields, with high selectivity, and with excellent functional group tolerance. This green protocol has also been implemented for the synthesis of a biologically important TRPC3 inhibitor.

Conformations, equilibrium thermodynamics and rotational barriers of secondary thiobenzanilides

The article deals with conformational behaviour of 2-methoxy-2′-hydroxythiobenzanilides. The CS-NH group of these compounds preferentially adopts the Z-conformation. Entropy favours the Z-conformer over the E-conformer, whereas enthalpy slightly favours the E-conformer over the Z-conformer. The rotational barrier about the CS-NH bond was determined to be (81.5±0.4) kJ/mol. No significant rotational barrier was found on the Ar-CS and Ar-NH bonds. All experimental outcomes are compared with the results of quantum-chemical calculations.

Selective reduction of nitro-compounds to primary amines by nickel-catalyzed hydrosilylative reduction

Ni(acac)2 and PMHS were found to be an excellent catalytic system for the chemoselective transfer hydrogenation of nitro-compounds to primary amines. Under mild conditions a series of nitro-compounds containing a variety of sensitive functional groups including aldehydes, esters, cyano, and nitrine were reduced to their corresponding amines in good to excellent yields with no byproduct.

Chemoselective reductions of nitroaromatics in water at room temperature

A robust and green protocol for the reduction of functionalized nitroarenes to the corresponding primary amines has been developed. It relies on inexpensive zinc dust in water containing nanomicelles derived from the commercially available designer surfactant TPGS-750-M. This mild process takes place at room temperature and tolerates a wide range of functionalities. Highly selective reductions can also be achieved in the presence of common protecting groups.

ASPARTIC PROTEASE INHIBITORS

The present invention is directed to aspartic protease inhibitors. Certain aspartic protease inhibitors of the invention can be represented by the following structural formula or a pharmaceutically acceptable salt thereof. The present invention is also directed to pharmaceutical compositions comprising the disclosed aspartic protease inhibitors. The present invention is further directed to methods of antagonizing one or more aspartic proteases in a subject in need thereof, and methods for treating an aspartic protease mediated disorder in a subject using the disclosed aspartic protease inhibitors.

SUBSTITUTED QUINAZOLINE DERIVATIVES AND THEIR USE AS INHIBITORS

The use of a compound of formula (I) 1 or a salt, ester or amide thereof; where X is O, or S, S(O) or S(O)2, or NR6 where R6 is hydrogen or C1-6 alkyl,; R5 is an optionally substituted 5-membered heteroaromatic ring, R1, R2 ,R3, R4 are independently selected from various specified moieties, in the preparation of a medicament for use in the inhibition of aurora 2 kinase. Certain compounds are novel and these, together with pharmaceutical compositions containing them are also described and claimed

Pharmacologically active pyridine derivatives and processes for the preparation thereof

N-phenyl-2-pyrimidineamine derivatives of formula I STR1 wherein the substituents are as defined in claim 1 and the derivatives of formula I can be used, for example, in the treatment of tumour diseases.