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3'-METHYL-BIPHENYL-4-YLAMINE, also known as 4-(3-methylbiphenyl)aniline, is a chemical compound with the molecular formula C13H13N. It is a substituted aniline derivative characterized by a methyl group attached to the 3'-position of the biphenyl ring. 3'-METHYL-BIPHENYL-4-YLAMINE is recognized for its role as an intermediate in the synthesis of a variety of organic compounds and serves as a reagent and building block in organic synthesis.

57964-45-1

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57964-45-1 Usage

Uses

Used in Pharmaceutical Industry:
3'-METHYL-BIPHENYL-4-YLAMINE is used as a chemical intermediate for the synthesis of pharmaceuticals, contributing to the development of new drugs due to its unique structural properties.
Used in Agrochemical Industry:
In the agrochemical sector, 3'-METHYL-BIPHENYL-4-YLAMINE is utilized as an intermediate in the production of various agrochemicals, playing a role in the creation of substances that protect crops and enhance agricultural productivity.
Used in Dye Industry:
3'-METHYL-BIPHENYL-4-YLAMINE is employed as a building block in the preparation of dyes, contributing to the coloration and properties of a range of dye products.
Used in Organic Synthesis:
As a reagent in organic synthesis, 3'-METHYL-BIPHENYL-4-YLAMINE is used for the preparation of complex molecules, facilitating the creation of advanced chemical compounds for various applications.
Safety Note:
It is important to acknowledge that 3'-METHYL-BIPHENYL-4-YLAMINE is known to be toxic and can cause skin and eye irritation upon direct contact. Therefore, strict adherence to safety protocols is essential during its handling and storage to mitigate potential health risks.

Check Digit Verification of cas no

The CAS Registry Mumber 57964-45-1 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 5,7,9,6 and 4 respectively; the second part has 2 digits, 4 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 57964-45:
(7*5)+(6*7)+(5*9)+(4*6)+(3*4)+(2*4)+(1*5)=171
171 % 10 = 1
So 57964-45-1 is a valid CAS Registry Number.

57964-45-1SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-(3-methylphenyl)aniline

1.2 Other means of identification

Product number -
Other names 4-amino-3'-methylbiphenyl

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:57964-45-1 SDS

57964-45-1Relevant academic research and scientific papers

Structure-activity relationship study of E6 as a novel necroptosis inducer

Mou, Jianfeng,Park, Ann,Cai, Yu,Yuan, Junying,Yuan, Chengye

supporting information, p. 3057 - 3061 (2015/06/22)

Necroptosis inducers represent a promising potential treatment for drug-resistant cancer. We herein describe the structure modification of E6, which was identified recently as a potent and selective necroptosis inducer. The studies described herein demonstrate for the first time that functionalized biphenyl derivatives possess necroptosis inducer activity. Furthermore, these studies have led to the identification of two promising compounds (5h and 5j) that can be used for further optimization studies as well as mechanism of action investigations.

NAPHTHALENE DERIVATIVE

-

Paragraph 0584, (2013/06/27)

The present invention provides compounds which can regulate VCP activity. The present invention provides the compound of formula (I) (R is as defined in the description) or oxides, esters, prodrugs, pharmaceutically acceptable salts or solvates thereof. The compounds can regulate VCP activity, and thus are useful for treating VCP-mediated diseases such as neurodegenerative diseases.

MODULATORS OF HISTONE METHYLTRANSFERASE, AND METHODS OF USE THEREOF

-

Page/Page column 148, (2012/06/30)

Disclosed are compounds, pharmaceutical compositions containing the compounds, and the uses of the compounds and compositions as modulators of histone methyltransferases, and for treating diseases influenced by modulation of histone methyltransferase activity.

NOVEL HETEROCYCLIC AMIDE DERIVATIVES HAVING DIHYDROOROTATE DEHYDROGENASE INHIBITING ACTIVITY

-

Page/Page column 51; 53, (2010/10/20)

Novel heterocyclic amide derivatives having pharmacological effects, that is, compounds represented by the general formula (1) or salts thereof: (1) wherein X1-X2 is S-CH2 or the like; R1 is alkyl or the like; p is 0 to 7; R2 is hydrogen, alkyl, or the like; R3 is hydrogen, alkyl, or the like; Y1-Y2 is CH=CH or the like; R4 is halogeno, alkyl, or the like; q is 0 to 4; and R5 is halogeno, hydrogen, alkyl, or the like.

Transformation of mutagenic aromatic amines into non-mutagenic species by alkyl substituents: Part II: Alkylation far away from the amino function

Glende, Carsten,Klein, Markus,Schmitt, Heimo,Erdinger, Lothar,Boche, Gernot

, p. 15 - 38 (2007/10/03)

Alkyl and trifluoromethyl derivatives of 4-aminobiphenyl (1) (4ABP) and 2-aminofluorene (7) (2AF) were synthesised and assayed for mutagenicity using Salmonella typhimurium tester strains TA98 and TA100 with and without the addition of S9 mix. Modification of 1 was achieved by attachment of alkyl groups (methyl, ethyl, iso-propyl, n-butyl, tert-butyl) and a trifluoromethyl group (CF3) in the 4′-position, the 3′-position (Me, CF3) and the 3′-, 5′-positions (DiMe, DiCF3). Compound 7 was modified by introduction of alkyl groups (methyl, tert-butyl, adamantyl) and a trifluoromethyl group (CF3) in the 7-position. The derivatives of 1 and 7 show for groups with growing steric demand decreased mutagenic activity. The bulkiest groups (CF3, tert-butyl and adamantyl) induce the strongest effects on the mutagenicity. It was even possible to eliminate the mutagenicity of 1 and 7 by introduction of such substituents. In the last part of the work, we compared the experimental mutagenicities with calculated values derived from QSAR correlations. Our findings show that the predictions for aromatic amines with bulky substituents were generally too high. The strongest deviations were observed in the case of the CF3-, tert-butyl- and the adamantyl-group. Only the parent compounds and derivatives with small alkyl groups were predicted well. These investigations show that "large" substituents have an influence on the mutagenicity caused by their steric demand. To predict the correct mutagenicities of such compounds, it is necessary to introduce steric parameters in the respective QSAR equations which will be done in a forthcoming paper.

Design and synthesis of isoxazoline derivatives as factor Xa inhibitors. 1

Quan, Mimi L.,Liauw, Ann Y.,Ellis, Christopher D.,Pruitt, James R.,Carini, David J.,Bostrom, Lori L.,Huang, Peggy P.,Harrison, Kimberly,Knabb, Robert M.,Thoolen, Martin J.,Wong, Pancras C.,Wexler, Ruth R.

, p. 2752 - 2759 (2007/10/03)

Thrombosis is a major cause of mortality in the industrialized world. Therefore, the prevention of blood coagulation has become a major target for new therapeutic agents. One attractive approach is the inhibition of factor Xa (FXa), the enzyme directly re

Carbocation-like reactivity patterns in X′-substituted-4-biphenylylnitrenium ions

Ren,McClelland

, p. 78 - 84 (2007/10/03)

4-Azido-X′-substituted biphenyls (X′ = 4′-MeO, 4′-Me, 4′-F, 3′-Me, 4′-Cl, H, 3′-MeO, 3′-Cl, 4′-CF3) have been prepared and subjected to 248 nm flash photolysis irradiation in 20:80 acetonitrile:water. Transient X′-substituted 4-biphenylylnitrenium ions 10 (Ar-C6H4-N+H) are observed, with lifetimes ranging from 0.6 ms (4′-MeO) to 26 ns (4′-CF3). These cations are quenched by azide ion, with values of kaz ranging from 6 to 10×109 M-1 s-1, with the majority in the range (9-10)×109. This near constant kaz provides further evidence that arylnitrenium ions are quenched by azide ion at the diffusion limit. The solvent reactivities, plotted in a single-parameter Hammett plot against σ+(X), exhibit a poor correlation, with the points for the para π-electron donors deviating from the correlation line based on the other substituents in the direction of requiring a more negative substituent parameter. The data are more satisfactorily fit to the two-parameter Yukawa-Tsuno equation; the parameter r+ obtained in this fit is 2.8. Thus the resonance interaction of the para π-donor X′-substituents with the positive charge of the cation is underestimated by σ+, a situation that has previously been observed with benzylic-type carbenium ions. The conclusion is made that, in their reaction with water, 4-biphenylylnitrenium ions behave like benzyl cations bearing two additional stabilizing vinyl groups, i.e., as if they had the structure Ar-C+(C-to-C)2 double bond. The inherent reactivity and the pattern of the aryl substituent effects are in fact similar to those in the carbocation series Ar-C+(Ph)2.

Design and synthesis of non-peptide Ras CAAX mimetics as potent farnesyltransferase inhibitors

Qian, Yimin,Vogt, Andreas,Sebti, Sa?d M.,Hamilton, Andrew D.

, p. 217 - 223 (2007/10/03)

Cysteine farnesylation of the ras oncogene product Ras is required for its transforming activity and is catalyzed by farnesyltransferase (FTase). The Ras carboxyl terminal tetrapeptide CAAX (C is cysteine, A is any aliphatic amino acid, X is methionine or serine) is the minimum sequence for FTase recognition. We report here the design, synthesis, and biological characterization of Ras CAAX non-peptide mimetics in which the cysteine is linked through a reduced pseudopeptide bond to 4-amino-3'-carboxybiphenyl. These non-peptide mimetics are potent inhibitors of FTase (IC50 = 40 nM for the most potent inhibitor) and are highly selective for FTase over GGTase I (geranylgeranyltransferase I). They are not substrates for farnesylation, do not have peptidic features, and have no hydrolyzable bonds. Structure- activity studies reveal the importance of the position of the carboxylic acid on the aryl ring as well as the reduction of the cysteine amide bond. Substitution at the 2-position of 4-amino-3'-carboxybiphenyl increases inhibitory potency, while the removal of the carboxylic acid results in a 10- fold loss of inhibitory activity.

Acid-Catalyzed Reactions of N-Arylhydroxylamines and Related Compounds with Benzene. Iminium-Benzenium Ions

Shudo, Koichi,Ohta, Toshiharu,Okamoto, Toshihiko

, p. 645 - 653 (2007/10/02)

N-Arylhydroxylamines react with benzene in the presence of trifluoroacetic acid (TFA) at room temperature to give diphenylamines.When TFA was replaced by a strong acid, trifluoromethanesulfonic acid (TFSA), the major products were aminobiphenyls.The nature of the reaction was explored by reactions of 4-substituted phenylhydroxylamines and dialkylaniline N-oxides with benzene.Thus, it was demonstrated that the reactive intermediates are onium-benzenium dications which are trapped by benzene to give aminobiphenyls by a mechanism similar to the Friedel-Krafts alkylation.Further evidence for the proposed reaction mechanism was the observation that nitrosobenzene and azoxybenzene reacted with benzene to give analogous products in the presence of the stronger acid.

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