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3-(4-Bromophenyl)oxetane-3-carboxylic acid is a chemical compound characterized by the molecular formula C10H9BrO3. It is an oxetane derivative, featuring a cyclic ether structure with three carbon atoms and one oxygen atom, to which a 4-bromophenyl group and a carboxylic acid functional group are attached. 3-(4-Bromophenyl)oxetane-3-carboxylic acid holds promise for various applications, particularly in the synthesis of organic compounds and as a pharmaceutical intermediate, with its properties and uses meriting further exploration through scientific research.

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  • 1393585-20-0 Structure
  • Basic information

    1. Product Name: 3-(4-Bromophenyl)oxetane-3-carboxylic acid
    2. Synonyms: 3-(4-Bromophenyl)oxetane-3-carboxylic acid;3-(4-bromophenyl)-3-Oxetanecarboxylic acid
    3. CAS NO:1393585-20-0
    4. Molecular Formula: C10H9BrO3
    5. Molecular Weight: 257.08066
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 1393585-20-0.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: N/A
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: N/A
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. CAS DataBase Reference: 3-(4-Bromophenyl)oxetane-3-carboxylic acid(CAS DataBase Reference)
    10. NIST Chemistry Reference: 3-(4-Bromophenyl)oxetane-3-carboxylic acid(1393585-20-0)
    11. EPA Substance Registry System: 3-(4-Bromophenyl)oxetane-3-carboxylic acid(1393585-20-0)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 1393585-20-0(Hazardous Substances Data)

1393585-20-0 Usage

Uses

Used in Organic Synthesis:
3-(4-Bromophenyl)oxetane-3-carboxylic acid is used as a building block in organic synthesis for the creation of other complex organic compounds. Its unique structure, including the oxetane ring and the 4-bromophenyl group, allows for versatile chemical reactions, facilitating the development of novel molecules with potential applications in various fields.
Used in Pharmaceutical Industry:
3-(4-Bromophenyl)oxetane-3-carboxylic acid is utilized as a pharmaceutical intermediate, playing a crucial role in the synthesis of new drugs. Its carboxylic acid functional group can be used to form esters, amides, and other derivatives, which may possess therapeutic properties. Further research into its potential as a precursor for drug development could lead to the discovery of new medications with improved efficacy and safety profiles.
Used in Chemical Research:
3-(4-Bromophenyl)oxetane-3-carboxylic acid serves as a subject of interest in chemical research, where its properties, reactivity, and potential applications are investigated. Understanding its behavior in various chemical reactions can provide insights into the development of new synthetic routes and the creation of innovative materials with specific properties tailored for different industries.

Check Digit Verification of cas no

The CAS Registry Mumber 1393585-20-0 includes 10 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 7 digits, 1,3,9,3,5,8 and 5 respectively; the second part has 2 digits, 2 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 1393585-20:
(9*1)+(8*3)+(7*9)+(6*3)+(5*5)+(4*8)+(3*5)+(2*2)+(1*0)=190
190 % 10 = 0
So 1393585-20-0 is a valid CAS Registry Number.

1393585-20-0SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-(4-bromophenyl)oxetane-3-carboxylic acid

1.2 Other means of identification

Product number -
Other names -

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:1393585-20-0 SDS

1393585-20-0Relevant articles and documents

Immunomodulator

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, (2021/02/10)

The invention provides an immunomodulator, and belongs to the field of medical chemistry. The immunomodulator is a compound represented by formula I, or a stereoisomer, or a salt, or a solvate, or a prodrug, or a metabolite thereof. The compound disclosed by the invention shows good IL-17A inhibitory activity, can be used for preparing an IL-17A inhibitor, is used for treating diseases with abnormal IL-17A activity, and the invention provides a new medicinal possibility for clinically treating diseases related to abnormal IL-17A activity.

Preparation method and application of 3-(substituted phenyl) oxetane-3-carboxylic acid and intermediate thereof

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, (2020/11/12)

The preparation method comprises the following steps: taking 3-oxetanone (compound II) as an initial raw material, and carrying out Wittig reaction on the initial raw material and triethyl phosphonotriacetate under an alkaline condition to obtain a compound III; carrying out coupling reaction on the compound III and a boric acid compound IV to obtain a compound V; reducing the ester group of the compound V to generate a compound VI; carrying out nucleophilic substitution reaction on hydroxyl of the compound VI and sulfonyl chloride/sulfonic anhydride to generate a compound VII; reacting hydroxyl of the compound VI with a halogenating reagent to generate a compound VIII; carrying out elimination reaction on the compound VII or the compound VIII to generate a compound IX; and finally, oxidizing the double bonds of the compound IX to generate 3-(substituted phenyl) oxetane-3-carboxylic acid (compound I). The method is easy and convenient to operate and high in yield, the total yield can reach 35%, and large-scale production can be achieved.

LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS

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, (2013/03/26)

Compounds, methods of making such compounds, pharmaceutical compositions and medicaments comprising such compounds, and methods of using such compounds to treat, prevent or diagnose diseases, disorders, or conditions associated with one or more of the lysophosphatidic acid receptors are provided.

COMPOSITIONS AND METHODS FOR MODULATING LPA RECEPTORS

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Page/Page column 79, (2012/10/18)

The present invention relates to compounds of Formula (1), or pharmaceutically acceptable salts thereof and their pharmaceutical compositions, wherein variables are as defined herein, which are useful as modulators of the activity of lysophosphatidic acid (LPA).

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