19097-44-0

Basic information

• Product Name: 4-IODOBUTYL BENZOATE
• Synonyms: 4-IODOBUTYL BENZOATE
• CAS NO: 19097-44-0
• Molecular Formula: C₁₁H₁₃IO₂
• Molecular Weight: 304.12
• Mol File: 19097-44-0.mol

Chemical Properties

• Boiling Point: 330.4°C at 760 mmHg
• Flash Point: 153.6°C
• Appearance: /
• Density: 1.554g/cm³
• Vapor Pressure: 0.000167mmHg at 25°C
• Refractive Index: 1.577
• CAS DataBase Reference: 4-IODOBUTYL BENZOATE(CAS DataBase Reference)
• NIST Chemistry Reference: 4-IODOBUTYL BENZOATE(19097-44-0)
• EPA Substance Registry System: 4-IODOBUTYL BENZOATE(19097-44-0)

Safety Data

• Hazardous Substances Data: 19097-44-0(Hazardous Substances Data)

Usage

InChI:InChI=1/C11H13IO2/c12-8-4-5-9-14-11(13)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2

Upstream product

• 109-99-9 tetrahydrofuran 
• 98-88-4 benzoyl chloride 
• 93-97-0 benzoic acid anhydride 
• 32651-37-9 4-benzoyloxybutan-1-ol 
• 532-32-1 sodium benzoate 

Downstream Products

• 161421-55-2 1-(4-benzoyloxybutyl)-4,5-dichloropyridazin-6-one 
• 187410-90-8 1-(benzoyloxy)-5-methylideneheptan-6-one 
• 854760-11-5 benzoic acid 5-oxo-hept-6-enyl ester 
• 1137726-22-7 4-[4-(benzoyloxy)butyl]benzenecarbonitrile 
• 1184934-40-4 4-azidobutyl benzoate 
• 136-60-7 benzoic acid, butyl ester 
• 19127-38-9 tribenzyltin iodide 
• 851118-44-0 C₁₂H₁₃NO₃ 
• 161421-64-3 1-(4-benzoyloxybutyl)-5-chloro-4-(2-chloroacetamido)pyridazin-6-one 
• 161421-56-3 4-azido-1-(4-benzoyloxybutyl)-5-chloropyridazin-6-one 
• 161421-67-6 1-(4-benzoyloxybutyl)-5-chloro-4-hydrazinopyridazin-6-one 
• 161421-71-2 1-(4-benzoyloxybutyl)-4,5-dimethoxypyridazin-6-one 
• 161421-61-0 1-(4-benzoyloxybutyl)-5-chloro-4-methylaminopyridazin-6-one 
• 161421-58-5 4-amino-1-(4-benzoyloxybutyl)-5-chloropyridazin-6-one 

Relevant articles and documents

Tetrahydrofuran ring opening with acid chlorides catalyzed by samarium triiodides

SmI3 acts as Lewis-acid catalysts in tetrahydrofuran ring opening reactions with acid chlorides under mild conditions.

Discovery of Macrocyclic Pyrimidines as MerTK-Specific Inhibitors

Macrocycles have attracted significant attention in drug discovery recently. In fact, a few de novo designed macrocyclic kinase inhibitors are currently in clinical trials with good potency and selectivity for their intended target. In this study, we successfully engaged a structure-based drug design approach to discover macrocyclic pyrimidines as potent Mer tyrosine kinase (MerTK)-specific inhibitors. An enzyme-linked immunosorbent assay (ELISA) in 384-well format was employed to evaluate the inhibitory activity of macrocycles in a cell-based assay assessing tyrosine phosphorylation of MerTK. Through structure–activity relationship (SAR) studies, analogue 11 [UNC2541; (S)-7-amino-N-(4-fluorobenzyl)-8-oxo-2,9,16-triaza-1(2,4)-pyrimidinacyclohexadecaphane-1-carboxamide] was identified as a potent and MerTK-specific inhibitor that exhibits sub-micromolar inhibitory activity in the cell-based ELISA. In addition, an X-ray structure of MerTK protein in complex with 11 was resolved to show that these macrocycles bind in the MerTK ATP pocket.

Novel total synthesis method of 13a-hydroxy tylophorine

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Structure and reactivity of bis(iodozincio)methane solution

Bis(iodozincio)methane, which has been shown to be an efficient reagent for organic synthesis, is obtained as THF solution. The structural information about the reagent as THF solution was corrected by small angle neutron scattering and by anomalous X-ray scattering. Those scattering experiments implied that the prepared bis(iodozincio)methane exists without forming any oligomer or aggregate. A coordination of tetrahydrothiophene to bis(iodozincio)methane enhances the nucleophilicity of the reagent and stabilizes its monomeric structure in the solution.

Process for the preparation of tetrazol-derived compounds as growth hormone secretagogues

A process for the preparation of tetrazole-derived compounds useful as growth hormone secretagogues is described.

Highly regioselective cleavages and iodinations of cyclic ethers utilizing SmI2

Various functionalized cyclic ethers such as oxiranes, oxetanes, and tetrahydrofurans have been prepared, and the regiochemistry of their ring opening with samarium diiodide and acyl chloride or anhydride has been investigated. Alkyl-substituted oxetane 5 and tetrahydrofurans 1 and 2 show almost no regioselectivity. However, high regioselectivities from the branched cyclic ethers (3, 8, 9, and 10) containing ethereal or hydroxyl moieties have been observed. This is probably the result of the bidentate chelated species between samarium and oxygen.