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ETHYL 4-AMINO-3,5-DIIODOBENZOATE is a chemical compound characterized by the molecular formula C9H8I2N2O2. It is a benzoic acid derivative featuring two iodine atoms on the benzene ring and an ethyl ester group attached to the benzoate moiety. ETHYL 4-AMINO-3,5-DIIODOBENZOATE holds promise for applications in organic synthesis and pharmaceutical research, potentially serving as a reagent in chemical reactions or a building block for more complex compounds. The presence of iodine atoms endows it with unique properties, including intriguing interactions with other molecules and possible biological activities.

5400-81-7

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5400-81-7 Usage

Uses

Used in Organic Synthesis:
ETHYL 4-AMINO-3,5-DIIODOBENZOATE is used as a reagent in organic synthesis for its ability to participate in various chemical reactions, contributing to the formation of new compounds with potential applications across different industries.
Used in Pharmaceutical Research:
In the pharmaceutical industry, ETHYL 4-AMINO-3,5-DIIODOBENZOATE is utilized as a building block in the synthesis of more complex compounds, which may possess therapeutic properties or serve as intermediates in the production of pharmaceuticals.
Used in Chemical Reactions:
ETHYL 4-AMINO-3,5-DIIODOBENZOATE is employed as a reagent in chemical reactions due to its unique structure and the presence of iodine atoms, which may facilitate specific types of chemical transformations or improve the efficiency of certain processes.
Used in the Study of Molecular Interactions:
Due to its potential biological activities and the presence of iodine atoms, ETHYL 4-AMINO-3,5-DIIODOBENZOATE is used in research to explore its interactions with other molecules, which could lead to a better understanding of its properties and applications in various fields.

Check Digit Verification of cas no

The CAS Registry Mumber 5400-81-7 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 5,4,0 and 0 respectively; the second part has 2 digits, 8 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 5400-81:
(6*5)+(5*4)+(4*0)+(3*0)+(2*8)+(1*1)=67
67 % 10 = 7
So 5400-81-7 is a valid CAS Registry Number.
InChI:InChI=1/C9H9I2NO2/c1-2-14-9(13)5-3-6(10)8(12)7(11)4-5/h3-4H,2,12H2,1H3

5400-81-7SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name ETHYL 4-AMINO-3,5-DIIODOBENZOATE

1.2 Other means of identification

Product number -
Other names 4-amino-3,5-diiodo-benzoic acid ethyl 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:5400-81-7 SDS

5400-81-7Relevant academic research and scientific papers

Production of three radical cations from a single photon using a photo acid generator

Tanaka, Kazuo,Ohashi, Wataru,Okada, Hiroshi,Chujo, Yoshiki

supporting information, p. 1635 - 1639 (2014/03/21)

Efficient generation of the organic radicals is a fundamental technology for preparing the spintronic materials. In this Letter, we present the chemical reaction of the three radical generation from a single photon. A photo acid generator which can releas

Synthesis of indoles: Efficient functionalisation of the 7-position

Charrier, Nicolas,Demont, Emmanuel,Dunsdon, Rachel,Maile, Graham,Naylor, Alan,O'Brien, Alistair,Redshaw, Sally,Theobald, Pam,Vesey, David,Walter, Daryl

, p. 3467 - 3477 (2008/02/10)

Traditional strategies in indole chemistry do not allow high-yielding access to some substitution patterns such as 3,5,7-trisubstituted indoles. We report in this article the efficient synthesis of this type of indole. The Heck cyclisation strategy we use

Synthesis of 3,5,7-substituted indoles via heck cyclisation

Charrier, Nicolas,Demont, Emmanuel,Dunsdon, Rachel,Maile, Graham,Naylor, Alan,O'Brien, Alistair,Redshaw, Sally,Theobald, Pam,Vesey, David,Walter, Daryl

, p. 3071 - 3074 (2007/10/03)

Traditional strategies in indole chemistry do not allow high yielding access to some substitution patterns such as 3,5,7-trisubstituted indoles. We report in this article the efficient synthesis of this type of indole. The Heck cyclisation strategy we use

Preparation of Polyfunctional Heterocycles Using Highly Functionalized Aminated Arylmagnesium Reagents as Versatile Scaffolds

Lindsay, David M.,Dohle, Wolfgang,Jensen, Anne Eeg,Kopp, Felix,Knochel, Paul

, p. 1819 - 1822 (2007/10/03)

(Equation Presented) Functionalized Grignard reagents, derived from readily available o-iodoaniline derivatives and obtained via a straightforward iodine-magnesium exchange, can be used to prepare a wide range of polyfunctional indoles, quinolines, and quinazolinones.

Iodoaminopotentidine and related compounds: A new class of ligands with high affinity and selectivity for the histamine H2 receptor

Hirschfeld,Buschauer,Elz,Schunack,Ruat,Traiffort,Schwartz

, p. 2231 - 2238 (2007/10/02)

The synthesis and biological evaluation of a new class of histamine H2 antagonists with N-cyano-N'-[ω-[3-(1- piperidinylmethyl)phenoxy]alkyl]guanidine partial structure are described as part of an extensive research program to find model compounds for the development of new radioligands with high H2 affinity and specific activity. High receptor affinity is achieved by an additional (substituted) aromatic ring, which is connected with the third guanidine N by a carbon chain spacer and an amine, carboxamide, ester, or sulfonamide link ('polar group'). In functional studies for H2 antagonistic activity and other pharmacological actions [e.g. H1 antihistaminic, antimuscarinic, antiadrenergic (α1, β1), 5-HT2 blocking activity] in the isolated guinea pig atrium and ileum and rat aorta and tail artery, the compounds proved to be highly potent and selective histamine H2 receptor antagonists. The H2 antagonistic activity is mainly depending on the length of both the N'-alkyl chain (chain A) and the N''-spacer (chain B). Compounds with a C3 chain A and a C2 chain B are most potent in the preferred group of substances, i.e., the carboxamide series. A wide variety of substituents at the aromatic ring is tolerated, among them iodine, amino, and azido groups. These compounds are up to 32 times more potent than cimetidine in the isolated guinea pig right atrium. The replacement of the carboxamide by an ester group (44c) is well tolerated, while replacement of the cyanoguanidine by an urea group results in nearly 100-fold decrease in activity (46c,e). The iodinated benzamides are among the most potent H2 antagonists known so far. The [125I]-labeled form of 31f ([125]iodoaminopotendine, [125I]-N-[2-(4-amino-3-iodobenzamido)ethyl]- N'-cyano-N''-[3-[3-(1-piperidinylmethyl)phenoxy]propyl]guanidine) and its photolabile analogue 31h ([125I]iodoazidopotentidine, [125I]-N-[2-(4- azido-3-iodobenzamido)ethyl]-N'-cyano-N''-[3-[3-(1-piperidinyl- methyl)phenoxy]propyl]guanidine) proved to be useful probes for reversible and irreversible labeling of the histamine H2 receptor. Radioligand binding studies in guinea pig cerebral membranes revealed considerably higher H2 receptor affinity for 31f (pK(i) = 9.15), 31h (pK(i) = 8.58), and some analogues than functional experiments (guinea pig atrium), presumably reflecting an easier access to the H2 receptors in membranes.

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