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1-(2-amino-5-chlorophenyl)-4-chloro-1-Butanone, also known as 5-Chloro-1-(2-aminophenyl)-4-chloropentan-1-one, is a chemical compound with the molecular formula C10H11Cl2NO. It is a yellow to brown solid that plays a significant role in various industrial applications due to its unique chemical properties.

158875-31-1

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158875-31-1 Usage

Uses

Used in Pharmaceutical Industry:
1-(2-amino-5-chlorophenyl)-4-chloro-1-Butanone is used as an intermediate for the production of pharmaceuticals. Its unique structure allows it to be a key component in the synthesis of various medicinal compounds, contributing to the development of new drugs and therapies.
Used in Agrochemical Industry:
This chemical compound is also utilized as an intermediate in the production of agrochemicals. Its role in creating effective pesticides and other agricultural products helps improve crop protection and yield.
Used in Chemical Synthesis:
1-(2-amino-5-chlorophenyl)-4-chloro-1-Butanone serves as a reagent in organic synthesis, particularly for the creation of dyes, pigments, and other organic compounds. Its versatility in chemical reactions makes it a valuable asset in the development of a wide range of products.
Used as a Building Block in Organic Synthesis:
Due to its potential as a building block, 1-(2-amino-5-chlorophenyl)-4-chloro-1-Butanone is employed in the synthesis of complex organic molecules. Its integration into more intricate chemical structures opens up possibilities for the creation of advanced materials and compounds with specific applications in various industries.

Check Digit Verification of cas no

The CAS Registry Mumber 158875-31-1 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,5,8,8,7 and 5 respectively; the second part has 2 digits, 3 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 158875-31:
(8*1)+(7*5)+(6*8)+(5*8)+(4*7)+(3*5)+(2*3)+(1*1)=181
181 % 10 = 1
So 158875-31-1 is a valid CAS Registry Number.

158875-31-1SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 15, 2017

Revision Date: Aug 15, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-(2-Amino-5-chloro-phenyl)-4-chloro-butan-1-one

1.2 Other means of identification

Product number -
Other names -

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 -
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More Details:158875-31-1 SDS

158875-31-1Relevant academic research and scientific papers

Synthesis and Biological Evaluation of an Indazole-Based Selective Protein Arginine Deiminase 4 (PAD4) Inhibitor

Tjin, Caroline Chandra,Wissner, Rebecca F.,Jamali, Haya,Schepartz, Alanna,Ellman, Jonathan A.

supporting information, p. 1013 - 1018 (2018/10/02)

Protein arginine deiminase 4 (PAD4) is a calcium-dependent enzyme that catalyzes the conversion of arginine to citrulline within target proteins. Dysregulation of PAD4 has been implicated in a number of human diseases, including rheumatoid arthritis and other inflammatory diseases as well as cancer. In this study, we report on the design, synthesis, and evaluation of a new class of haloacetamidine-based compounds as potential PAD4 inhibitors. Specifically, we describe the identification of 4,5,6-trichloroindazole 24 as a highly potent PAD4 inhibitor that displays >10-fold selectivity for PAD4 over PAD3 and >50-fold over PAD1 and PAD2. The efficacy of this compound in cells was determined by measuring the inhibition of PAD4-mediated H4 citrullination in HL-60 granulocytes.

Synthesis of a New Generation Reverse Transcriptase Inhibitor via the BCl3/GaCl3-induced Condensation of Anilines with Nitriles (Sugasawa Reaction)

Houpis, Ioannis N.,Molina, Audrey,Douglas, Alan W.,Xavier, Lyndon,Lynch, Joseph,et al.

, p. 6811 - 6814 (2007/10/02)

The synthesis of 1 was achieved in high overall yield through a mechanism-based improvement of the preparation of o-acyl anilines.

In situ NMR spectroscopic studies of aniline ortho acylation ("sugasawa reaction"): The nature of reaction intermediates and Lewis acid influence on yield

Douglas,Abramson,Houpis,Karady,Molina,Xavier,Yasuda

, p. 6807 - 6810 (2007/10/02)

Ortho acylation of anilines by nitriles in the presence of BCl3 and a second Lewis acid appear to proceed through an intermediate "supercomplex" including all four components. Yield improvements were obtained based on recognition that chloride affinity of the second Lewis acid governs supercomplex formation. Aniline protonation was found to be the cause of incomplete reaction.

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