5400-81-7

Basic information

• Product Name: ETHYL 4-AMINO-3,5-DIIODOBENZOATE
• Synonyms: 3,5-DIIODO-4-AMINOBENZOIC ACID ETHYL ESTER;4-AMINO-3,5-DIIODOBENZOIC ACID ETHYL ESTER;ETHYL-3,5-DIIODO-4-AMINOBENZOATE;ETHYL 4-AMINO-3,5-DIIODOBENZOATE;Ethyl 4-amino-3,5-diiodobenzoate, tech;ETHYL 4-AMINO-3,5-DIODOBENZOATE
• CAS NO: 5400-81-7
• Molecular Formula: C₉H₉I₂NO₂
• Molecular Weight: 416.98
• Product Categories: Esters;Phenyls & Phenyl-Het
• Mol File: 5400-81-7.mol
• Article Data: 5

Chemical Properties

• Melting Point: 148℃
• Boiling Point: 449.1°Cat760mmHg
• Flash Point: 225.4°C
• Appearance: /
• Density: 2.191g/cm³
• Vapor Pressure: 2.93E-08mmHg at 25°C
• Refractive Index: 1.689
• CAS DataBase Reference: ETHYL 4-AMINO-3,5-DIIODOBENZOATE(CAS DataBase Reference)
• NIST Chemistry Reference: ETHYL 4-AMINO-3,5-DIIODOBENZOATE(5400-81-7)
• EPA Substance Registry System: ETHYL 4-AMINO-3,5-DIIODOBENZOATE(5400-81-7)

Safety Data

• Hazard Codes: Xi:Irritant
• Statements: R36/37/38:Irritating to eyes, respiratory system and skin.
• Safety Statements: S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39:Wear suitable g
• Hazardous Substances Data: 5400-81-7(Hazardous Substances Data)

Usage

General Description

ETHYL 4-AMINO-3,5-DIIODOBENZOATE is a chemical compound with the molecular formula C9H8I2N2O2. It is a derivative of benzoic acid and contains two iodine atoms attached to the benzene ring. The ethyl ester group is also attached to the benzoate moiety. ETHYL 4-AMINO-3,5-DIIODOBENZOATE has potential applications in the field of organic synthesis and pharmaceutical research. It may also be used as a reagent in chemical reactions or as a building block in the synthesis of more complex compounds. Due to the presence of iodine atoms, it may also have interesting properties in terms of its interactions with other molecules and its potential biological activities.

InChI:InChI=1/C9H9I2NO2/c1-2-14-9(13)5-3-6(10)8(12)7(11)4-5/h3-4H,2,12H2,1H3

Upstream product

• 64-17-5 ethanol 
• 2122-61-4 4-amino-3,5-diiodobenzoic acid 
• 94-09-7 p-aminoethylbenzoate 
• 75-03-6 ethyl iodide 
• 75-09-2 dichloromethane 

Downstream Products

• 717813-39-3 4-amino-3,5-diiodo-benzoic acid 2-diethylamino-ethyl ester 
• 2122-61-4 4-amino-3,5-diiodobenzoic acid 
• 761432-06-8 ethyl (E/Z)-4-(but-2-enylamino)-3,5-diiodobenzoate 
• 92287-25-7 ethyl 4-(acetylamino)-3,5-diiodobenzoate 
• 140873-28-5 C₂₆H₃₃I₂N₇O₂ 
• 140873-39-8 C₂₇H₃₅I₂N₇O₂ 
• 1204494-08-5 C₁₃H₁₅IN₂O₃ 
• 1590443-37-0 (4-amino-3,5-bis((E)-3-((tert-butyldimethylsilyl)oxy)prop-1-en-1-yl)phenyl)methanol 

Relevant articles and documents

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

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 3,5,7-substituted indoles via heck cyclisation

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

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

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.