1459754-32-5

Basic information

• Product Name: 4-(2-chloro-5-iodobenzyl)phenol
• Synonyms: 4-(2-chloro-5-iodobenzyl)phenol;4-[(5-IODo-2-chlorophenyl)methyl]Phenol
• CAS NO: 1459754-32-5
• Molecular Formula: C₁₃H₁₀ClIO
• Molecular Weight: 344.57537
• EINECS: -0
• Mol File: 1459754-32-5.mol
• Article Data: 13

Chemical Properties

• Boiling Point: 420.2±40.0 °C(Predicted)
• Appearance: /
• Density: 1.711±0.06 g/cm3(Predicted)
• PKA: 10.14±0.15(Predicted)
• CAS DataBase Reference: 4-(2-chloro-5-iodobenzyl)phenol(CAS DataBase Reference)
• NIST Chemistry Reference: 4-(2-chloro-5-iodobenzyl)phenol(1459754-32-5)
• EPA Substance Registry System: 4-(2-chloro-5-iodobenzyl)phenol(1459754-32-5)

Safety Data

• Hazardous Substances Data: 1459754-32-5(Hazardous Substances Data)

Usage

General Description

4-(2-chloro-5-iodobenzyl)phenol is a chemical compound that belongs to the class of phenols and has the molecular formula C13H9ClIO. It is a white to off-white solid with a molecular weight of 358.57 g/mol. 4-(2-chloro-5-iodobenzyl)phenol is commonly used in research and development as a building block in the synthesis of various pharmacological and biological compounds. Its chemical properties make it valuable in the pharmaceutical industry for the production of drugs, as well as in academic research for studying the structure-activity relationships of different compounds. Additionally, 4-(2-chloro-5-iodobenzyl)phenol may have potential applications in medicinal chemistry and drug discovery due to its unique chemical structure and reactivity.

Upstream product

• 1459754-36-9 2-(4-methoxybenzyl)-1-chloro-4-iodobenzene 
• 103-73-1 Phenetole 
• 1459754-40-5 (2-chloro-5-iodophenyl)(4-hydroxyphenyl)methanone 
• 108-95-2 phenol 
• 19094-56-5 2-chloro-5-iodobenzoic acid 
• 281652-58-2 2-chloro-5-iodobenzoylchloride 
• 100-66-3 methoxybenzene 
• 1459754-39-2 (2-chloro-5-iodophenyl)(4-methoxyphenyl)methanone 

Downstream Products

• 1400980-44-0 1-chloro-2-(4-(2-cyclopropoxyethoxy)benzyl)-4-iodobenzene 
• 864070-44-0 empagliflozin 
• 864070-37-1 (2S,3R,4R,5S,6R)-2-(4-chloro-3-(4-hydroxybenzyl)phenyl)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol 
• 1204220-63-2 (2S,3R,4S,5S,6R)-2-(4-chloro-3-(4-hydroxybenzyl)phenyl)-6-(hydroxymethyl)-2-methoxytetrahydro-2H-pyran-3,4,5-triol 
• 915095-94-2 (3S)-3-[4-[(2-chloro-5-iodophenyl)methyl]phenoxy]tetrahydrofuran 
• 912917-83-0 (3R,4S,5S,6R)-2-(4-chloro-3-(4-hydroxybenzyl)phenyl)-6-(hydroxymethyl)-2-methoxytetrahydro-2H-pyran-3,4,5-triol 

Relevant articles and documents

Empagliflozin intermediate preparation method

The invention discloses an empagliflozin intermediate preparation method, which comprises: carrying out substitution by using p-methoxybenzyl chloride and p-iodoaniline as starting raw materials to obtain a compound IV, performing diazotization and a Sandmeyer reaction to obtain a compound III, further performing demethylation under the action of boron tribromide to obtain a compound II, and finally performing condensation with (S)-3-p-toluenesulfonyloxy tetrahydrofuran to obtain the target compound I, wherein the product purity is greater than or equal to 99.0%. According to the invention, the preparation method has advantages of simple and easily available raw materials, low cost, simple operation steps, simple post-treatment and high product yield, and is suitable for industrial production.

Synthetic method for empagliflozin related substance IMPD

The invention discloses a synthetic method for empagliflozin related substance IMPD. In a current synthetic method of IMPD, a whole synthetic route is longer and the total yield is lower. The synthetic method provided by the invention comprises the following steps: performing hydroxylation by using (2-chloro-5-iodophenyl)(4-fluorophenyl)methanone as a raw material to obtain (2-chloro-5-iodophenyl)(4-hydroxyphenyl)methanone, performing a reaction by using a carbonyl reducing agent to obtain 4-(5-iodo-2-chlorobenzyl)phenol, protecting phenolic hydroxyl groups by using protecting groups such as TBDMS, performing metallization of aromatic iodide by adopting a relatively stable and safe Grignard reagent i-PrMgCl.LiCl, performing methyl glucoside reduction by using a Lewis acid catalyst, and finally performing quenching to obtain the empagliflozin related substance IMPD. The synthetic method provided by the invention has the advantages of an abundant raw material source, a simple, quick andhigh-efficiency reaction, milder reaction conditions, a higher total yield and low costs.

OPTICALLY PURE BENZYL-4-CHLOROPHENYL-C-GLUCOSIDE DERIVATIVE

The present invention relates to a pharmaceutical technology, and more specifically, to optically pure benzyl-4-chloro-phenyl glucoside derivatives represented by the chemical formula II and III or a pharmaceutically acceptable salt thereof. The present invention also relates to a method for preparing the compounds and intermediates thereof, pharmaceutical formulations and pharmaceutical compositions containing the compounds, and the use of the optically pure benzyl-4-chloro-phenyl glucoside derivatives as sodium glucose co-transporter (SGLT) inhibitors for the prevention and treatment of the diabetes including the insulin dependent diabetes mellitus and non-insulin dependent diabetes mellitus and the diabetes-related deseases such as insulin-resistant diseases and obesity.COPYRIGHT KIPO 2015