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3'-Chlorobiphenyl-4-ylamine, with the molecular formula C12H10ClN, is an aromatic amine that features a biphenyl core with a chlorine atom at the 3' position and an amino group at the 4' position. This chemical compound is utilized in a variety of industrial applications and serves as an intermediate in the synthesis of other organic compounds.

5748-36-7

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5748-36-7 Usage

Uses

Used in Dye Production:
3'-Chlorobiphenyl-4-ylamine is used as a chemical intermediate for the production of dyes, contributing to the development of colorants with specific properties required in various industries.
Used in Pharmaceutical Industry:
In the pharmaceutical sector, 3'-Chlorobiphenyl-4-ylamine is employed as a building block in the synthesis of medicinal compounds, potentially leading to the creation of new drugs with therapeutic benefits.
Used in Agrochemicals:
3'-Chlorobiphenyl-4-ylamine is utilized in the agrochemical industry as a precursor for the development of pesticides and other agricultural chemicals, aiming to enhance crop protection and yield.
Used in Organic Compounds Synthesis:
This chemical compound also serves as an intermediate in the synthesis of other organic compounds, playing a crucial role in the production of various chemical products.
Safety Note:
Given the potential toxic effects of 3'-Chlorobiphenyl-4-ylamine, it is imperative to handle and use this chemical according to established safety guidelines to minimize exposure risks and prevent adverse health effects.

Check Digit Verification of cas no

The CAS Registry Mumber 5748-36-7 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 5,7,4 and 8 respectively; the second part has 2 digits, 3 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 5748-36:
(6*5)+(5*7)+(4*4)+(3*8)+(2*3)+(1*6)=117
117 % 10 = 7
So 5748-36-7 is a valid CAS Registry Number.

5748-36-7SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-(3-chlorophenyl)aniline

1.2 Other means of identification

Product number -
Other names 4-Amino-3'-chlor-biphenyl

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:5748-36-7 SDS

5748-36-7Relevant academic research and scientific papers

De novo design approaches targeting an envelope protein pocket to identify small molecules against dengue virus

Acosta Dávila, John Alejandro,Adler, Natalia S.,Aucar, Maria G.,Battini, Leandro,Bollini, Mariela,Cavasotto, Claudio N.,Cordo, Sandra M.,Fernández, Gabriela A.,Gamarnik, Andrea V.,García, Cybele C.,Gebhard, Leopoldo G.,Hernández de los Ríos, Alejandro,Leal, Emilse S.,Monge, María Eugenia,Morell, María L.,Videla, Mariela

supporting information, (2019/08/30)

Dengue fever is a mosquito-borne viral disease that has become a major public health concern worldwide. This disease presents with a wide range of clinical manifestations, from a mild cold-like illness to the more serious hemorrhagic dengue fever and dengue shock syndrome. Currently, neither an approved drug nor an effective vaccine for the treatment are available to fight the disease. The envelope protein (E) is a major component of the virion surface. This protein plays a key role during the viral entry process, constituting an attractive target for the development of antiviral drugs. The crystal structure of the E protein reveals the existence of a hydrophobic pocket occupied by the detergent n-octyl-β-d-glucoside (β-OG). This pocket lies at the hinge region between domains I and II and is important for the low pH-triggered conformational rearrangement required for the fusion of the virion with the host's cell. Aiming at the design of novel molecules which bind to E and act as virus entry inhibitors, we undertook a de novo design approach by “growing” molecules inside the hydrophobic site (β-OG). From more than 240000 small-molecules generated, the 2,4 pyrimidine scaffold was selected as the best candidate, from which one synthesized compound displayed micromolar activity. Molecular dynamics-based optimization was performed on this hit, and thirty derivatives were designed in silico, synthesized and evaluated on their capacity to inhibit dengue virus entry into the host cell. Four compounds were found to be potent antiviral compounds in the low-micromolar range. The assessment of drug-like physicochemical and in vitro pharmacokinetic properties revealed that compounds 3e and 3h presented acceptable solubility values and were stable in mouse plasma, simulated gastric fluid, simulated intestinal fluid, and phosphate buffered saline solution.

Cubical Palladium Nanoparticles on C@Fe3O4 for Nitro reduction, Suzuki-Miyaura Coupling and Sequential Reactions

Kumar, Basuvaraj Suresh,Amali, Arlin Jose,Pitchumani, Kasi

, p. 511 - 519 (2016/08/15)

Cubical Pd nanoparticles incorporated magnetically recyclable nanoreactor (Pd cNPs/C@Fe3O4) are found to be efficient catalysts for the hydrogenation or aromatic nitrocompounds, Suzuki-Miyaura coupling and the sequential reaction of [Formula presented] coupling followed by reduction of nitrobiphenyl substrates. A variety of aryl iodides, bromides and chlorides were coupled with phenylboronic acids to form corresponding biaryl products and variety of nitro aromatic compounds was hydrogenated with excellent yield and high TON. The catalytic activity of palladium cubical nanoparticles (Pd cNPs) embedded with excess of {100} surface facets are superior compared to Pd spherical nanoparticles (Pd sNPs) embedded with mixed surface facets. The catalytic efficiency remains unaltered even after five repeated cycles. The observed enhanced catalytic activity is attributed to the high density of low-coordinated Pd {100} atoms present at the surface of the Pd cNPs/C@Fe3O4 catalyst, confirmed by HR-TEM studies. Also, the catalyst is truly heterogeneous, highly stable, does not require any toxic ligands, has wide substrate scope in both nitroreduction and Suzuki-Miyaura coupling reaction along with the ability to catalyse in a sequential manner, magnetically separable from the reaction mixture and can be reused.

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.

Synthesis and evaluation of non-basic inhibitors of urokinase-type plasminogen activator (uPA)

Venkatraj, Muthusamy,Messagie, Jonas,Joossens, Jurgen,Lambeir, Anne-Marie,Haemers, Achiel,Van Der Veken, Pieter,Augustyns, Koen

supporting information; experimental part, p. 1557 - 1568 (2012/04/17)

Recent drug discovery programs targeting urokinase plasminogen activator (uPA) have resulted in nonpeptidic inhibitors consisting of amidine or guanidine functional groups attached to aromatic or heteroaromatic scaffolds. There is a general problem of poor oral bioavailability of these charged inhibitors. In this paper, we report the synthesis and evaluation of a series of naphthamide and naphthalene sulfonamides as uPA inhibitors containing non-basic groups as substitute for amidine or guanidine groups.

Rationally designing safer anilines: The challenging case of 4-aminobiphenyls

Birch, Alan M.,Groombridge, Sam,Law, Robert,Leach, Andrew G.,Mee, Christine D.,Schramm, Carolin

supporting information; experimental part, p. 3923 - 3933 (2012/07/13)

We describe how we have been able to design 4-aminobiphenyls that are nonmutagenic (inactive in the Ames test). No such 4-aminobiphenyls were known to us, but insights provided by quantum mechanical calculations have permitted us to design and synthesize some examples. Importantly, the quantum mechanical calculations could be combined with predictions of other properties of the compounds that contained the 4-aminobiphenyls so that these remained druglike. Having found compounds that are not active, the calculations can provide insight into which factors (electronic and conformational in this case) are important. The calculations provided SAR-like information that was able guide the design of further examples of 4-aminobiphenyls that are not active in the Ames test.

NOVEL HETEROCYCLIC AMIDE DERIVATIVES HAVING DIHYDROOROTATE DEHYDROGENASE INHIBITING ACTIVITY

-

Page/Page column 51; 52, (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.

One step hair coloring compositions using salts

-

, (2008/06/13)

A hair coloring composition comprising the following two compositions which are mixed just prior to application to the hair: (a) a composition comprising a water-soluble peroxygen oxidizing agent; and (b) a composition comprising one or more oxidative hair coloring agents selected from the group consisting of an aromatic diamine, an amino phenol, a naphthol, a polyhydric phenol, a catechol and mixtures thereof; wherein the composition comprising one or more oxidative hair coloring agents further comprises al least one water soluble carbonate releasing salts; and optionally a water soluble ammonium salt, is described.

Transition metal complexes as dye forming catalysts in hair coloring compositions

-

, (2008/06/13)

A hair coloring composition comprising a first composition which comprises: (a) a dye forming transition metal salt or complex; which is first applied to the hair; and a second composition which comprises the following two compositions which are mixed just prior to application to the hair: (a) a composition comprising a water-soluble peroxygen oxidizing agent; and (b) a composition comprising one or more oxidative hair coloring agents selected from the group consisting of an aromatic diamine, an aminophenol, a polyhydric phenol a catechol and mixtures thereof.

Hair colouring and conditioning compositions

-

, (2008/06/13)

A hair colouring and conditioning composition comprising: (a) a hair colouring agent; and (b) a hair conditioning agent; wherein the composition provides an Average Combing Index Value of greater than 1.2 as measured by the Combing Technical Test Method. The products can provide excellent hair colouring together with excellent conditioning, reduced hair damage, brittleness and dryness, and is convenient and easy to use.

Hair conditioning compositions and their use in hair colouring compositions

-

, (2008/06/13)

The present invention relates to a hair care composition comprising a aminofunctional polysiloxane having a specified average effective particle size which provides improved durable conditioning particularly when utilised in conjunction with a hair colouring composition.

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