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4-Chloro-2-iodo-benzoic acid Methyl ester is a chemical compound with the molecular formula C8H6ClIO2. It is an ester derivative of 4-chloro-2-iodobenzoic acid, characterized by its white to off-white solid appearance and sparing solubility in water, while being soluble in organic solvents. 4-Chloro-2-iodo-benzoic acid Methyl ester is frequently utilized as an intermediate in organic synthesis, playing a crucial role in the creation of various compounds and active ingredients.

181765-85-5

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181765-85-5 Usage

Uses

Used in Pharmaceutical Industry:
4-Chloro-2-iodo-benzoic acid Methyl ester is used as a synthetic intermediate for the development of pharmaceutical compounds. Its unique structure allows for the creation of new drugs with potential therapeutic applications, contributing to the advancement of medicine.
Used in Agrochemical Industry:
In the agrochemical sector, 4-Chloro-2-iodo-benzoic acid Methyl ester serves as a key intermediate in the synthesis of active ingredients for pesticides and other agricultural chemicals. This helps in enhancing crop protection and yield.
Used in Materials Science:
4-Chloro-2-iodo-benzoic acid Methyl ester may also find applications in materials science, potentially contributing to the development of new materials with specific properties for various industrial uses.
Used in Research:
4-Chloro-2-iodo-benzoic acid Methyl ester holds potential for research purposes, where its reactivity and structural features can be explored for new chemical reactions and the discovery of novel compounds.
It is important to handle 4-Chloro-2-iodo-benzoic acid Methyl ester with care due to its potential hazards and reactivity, ensuring safe practices in laboratories and industrial settings.

Check Digit Verification of cas no

The CAS Registry Mumber 181765-85-5 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,8,1,7,6 and 5 respectively; the second part has 2 digits, 8 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 181765-85:
(8*1)+(7*8)+(6*1)+(5*7)+(4*6)+(3*5)+(2*8)+(1*5)=165
165 % 10 = 5
So 181765-85-5 is a valid CAS Registry Number.

181765-85-5SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 14, 2017

Revision Date: Aug 14, 2017

1.Identification

1.1 GHS Product identifier

Product name methyl 4-chloro-2-iodobenzoate

1.2 Other means of identification

Product number -
Other names 4-CHLORO-2-IODO-BENZOIC ACID METHYL ESTER

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:181765-85-5 SDS

181765-85-5Relevant academic research and scientific papers

A photoredox-neutral Smiles rearrangement of 2-aryloxybenzoic acids

Gonzalez-Gomez, Jose C.,Ramirez, Nieves P.,Lana-Villarreal, Teresa,Bonete, Pedro

supporting information, p. 9680 - 9684 (2017/11/30)

We report on the use of visible light photoredox catalysis for the radical Smiles rearrangement of 2-aryloxybenzoic acids to obtain aryl salicylates. The method is free of noble metals and operationally simple and the reaction can be run under mild batch or flow conditions. Being a redox neutral process, no stoichiometric oxidants or reductants are needed.

Synthesis and antimicrobial evaluation of amixicile-based inhibitors of the pyruvate-ferredoxin oxidoreductases of anaerobic bacteria and Epsilonproteobacte

Kennedy, Andrew J.,Bruce, Alexandra M.,Gineste, Catherine,Ballard, T. Eric,Olekhnovich, Igor N.,Macdonald, Timothy L.,Hoffman, Paul S.

supporting information, p. 3980 - 3987 (2016/07/11)

Amixicile is a promising derivative of nitazoxanide (an antiparasitic therapeutic) developed to treat systemic infections caused by anaerobic bacteria, anaerobic parasites, and members of the Epsilonproteobacteria (Campylobacter and Helicobacter). Amixicile selectively inhibits pyruvate-ferredoxin oxidoreductase (PFOR) and related enzymes by inhibiting the function of the vitamin B1 cofactor (thiamine pyrophosphate) by a novel mechanism. Here, we interrogate the amixicile scaffold, guided by docking simulations, direct PFOR inhibition assays, and MIC tests against Clostridium difficile, Campylobacter jejuni, and Helicobacter pylori. Docking simulations revealed that the nitro group present in nitazoxanide interacts with the protonated N4′-aminopyrimidine of thiamine pyrophosphate (TPP). The ortho-propylamine on the benzene ring formed an electrostatic interaction with an aspartic acid moiety (B456) of PFOR that correlated with improved PFOR-inhibitory activity and potency by MIC tests. Aryl substitution with electron-withdrawing groups and substitutions of the propylamine with other alkyl amines or nitrogen-containing heterocycles both improved PFOR inhibition and, in many cases, biological activity against C. difficile. Docking simulation results correlate well with mechanistic enzymology and nuclear magnetic resonance (NMR) studies that show members of this class of antimicrobials to be specific inhibitors of vitamin B1 function by proton abstraction, which is both novel and likely to limit mutation-based drug resistance.

COMPOUNDS AND METHODS FOR TREATING HIV INFECTIONS

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Paragraph 0451, (2015/04/21)

The present invention is directed to novel nanomolar and picomolar inhibitors of HIV reverse transcriptase, pharmaceutical compositions therefrom and methods for inhibiting reverse transcriptase and treating HIV infections, especially included drug resistant strains of HIV-1 and HIV-2 and/or secondary disease states and/or conditions which occur as a consequence of HIV infection.

Picomolar inhibitors of HIV-1 reverse transcriptase: Design and crystallography of naphthyl phenyl ethers

Lee, Won-Gil,Frey, Kathleen M.,Gallardo-Macias, Ricardo,Spasov, Krasimir A.,Bollini, Mariela,Anderson, Karen S.,Jorgensen, William L.

supporting information, p. 1259 - 1262 (2015/04/27)

Catechol diethers that incorporate a 6-cyano-1-naphthyl substituent have been explored as non-nucleoside inhibitors of HIV-1 reverse transcriptase (NNRTIs). Promising compounds are reported that show midpicomolar activity against the wild-type virus and sub-20 nM activity against viral variants bearing Tyr181Cys and Lys103Asn mutations in HIV-RT. An X-ray crystal structure at 2.49 ? resolution is also reported for the key compound 6e with HIV-RT.

BENZODIAZEPINONES AS FAK INHIBITORS FOR TREATMENT OF CANCER

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Page/Page column 64-65, (2012/04/23)

Disclosed are compounds which inhibit the activity of focal adhesion kinase, compositions containing the compounds, and methods of treating diseases during which focal adhesion kinase is expressed.

COMPOUNDS, COMPOSITIONS, AND METHODS

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Page 67-68, (2008/06/13)

Compounds useful for treating cellular proliferative diseases and disorders by modulating the activity of KSP are disclosed.

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