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5-Iodo-3-(trifluoromethyl)-2(1H)-pyridinone, also known as trifluoromethyl-5-iodo-2-pyridone, is a pyridine derivative with the molecular formula C6H3F3IN. It features an iodo group and a trifluoromethyl group, making it a highly reactive chemical compound often utilized as a building block in organic synthesis and pharmaceutical research.

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  • 887707-23-5 Structure
  • Basic information

    1. Product Name: 5-IODO-3-(TRIFLUOROMETHYL)-2(1H)-PYRIDINONE
    2. Synonyms: 5-IODO-3-(TRIFLUOROMETHYL)-2(1H)-PYRIDINONE;5-iodo-3-(trifluoromethyl)pyridin-2-ol;2-Hydroxy-5-Iodo-3-(trifluoromethyl)pyridine;5-Iodo-2-hydroxy-3-(trifluoroMethyl)pyridine;5-iodo-3-(trifluoroMethyl)pyridin-2(1H)-one;5-Iodo-3-trifluoroMethyl-1H-pyridin-2-one;3-(trifluoromethyl)-5-iodopyridin-2-ol
    3. CAS NO:887707-23-5
    4. Molecular Formula: C6H3F3INO
    5. Molecular Weight: 289
    6. EINECS: N/A
    7. Product Categories: Fluorine series
    8. Mol File: 887707-23-5.mol
  • Chemical Properties

    1. Melting Point: 145-147℃
    2. Boiling Point: 249℃
    3. Flash Point: 105℃
    4. Appearance: /
    5. Density: 2.11
    6. Refractive Index: N/A
    7. Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
    8. Solubility: N/A
    9. PKA: 7.80±0.10(Predicted)
    10. CAS DataBase Reference: 5-IODO-3-(TRIFLUOROMETHYL)-2(1H)-PYRIDINONE(CAS DataBase Reference)
    11. NIST Chemistry Reference: 5-IODO-3-(TRIFLUOROMETHYL)-2(1H)-PYRIDINONE(887707-23-5)
    12. EPA Substance Registry System: 5-IODO-3-(TRIFLUOROMETHYL)-2(1H)-PYRIDINONE(887707-23-5)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: IRRITANT
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 887707-23-5(Hazardous Substances Data)

887707-23-5 Usage

Uses

Used in Organic Synthesis:
5-Iodo-3-(trifluoromethyl)-2(1H)-pyridinone is used as a building block for the synthesis of various organic compounds due to its high reactivity and structural versatility.
Used in Pharmaceutical Research:
In the pharmaceutical industry, 5-Iodo-3-(trifluoromethyl)-2(1H)-pyridinone is used as a reagent in cross-coupling reactions to create new drug candidates with potential therapeutic properties.
Used in Metal-Mediated Catalysis:
5-Iodo-3-(trifluoromethyl)-2(1H)-pyridinone is employed as a ligand in metal-mediated catalysis, where it enhances the efficiency of catalytic processes in organic reactions.
Used in Medicinal Chemistry and Chemical Biology:
This chemical compound serves as a valuable tool in the development of new drugs and in the study of various organic reactions, contributing to advancements in both medicinal chemistry and chemical biology.

Check Digit Verification of cas no

The CAS Registry Mumber 887707-23-5 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 8,8,7,7,0 and 7 respectively; the second part has 2 digits, 2 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 887707-23:
(8*8)+(7*8)+(6*7)+(5*7)+(4*0)+(3*7)+(2*2)+(1*3)=225
225 % 10 = 5
So 887707-23-5 is a valid CAS Registry Number.

887707-23-5SDS

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 5-Iodo-3-(Trifluoromethyl)-2(1H)-Pyridinone

1.2 Other means of identification

Product number -
Other names 5-iodo-3-(trifluoromethyl)-1H-pyridin-2-one

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:887707-23-5 SDS

887707-23-5Downstream Products

887707-23-5Relevant articles and documents

AROMATIC RING DERIVATIVE AS IMMUNOREGULATION AND PREPARATION METHOD AND APPLICATION OF AROMATIC RING DERIVATIVE

-

Paragraph 0299-0300, (2021/10/15)

Relating to a compound represented by formula (I) and a pharmaceutically acceptable salt of the compound, and an application of the compound as an S1P1 agonist.

DIARYLTHIOHYDANTOIN COMPOUND AS ANDROGEN RECEPTOR ANTAGONIST

-

Paragraph 0474-0476, (2020/07/07)

The present application belongs to the field of medicine. In particular, the present application relates to a diarylthiohydantoin compound as an androgen receptor antagonist or a pharmaceutically acceptable salt thereof, a preparation method of the same, a pharmaceutical composition comprising the compound, and a use thereof in treating a cell proliferative disease mediated by androgen. The compound of the present application has good antagonistic effect on androgen receptor and exhibits excellent antitumor effect.

Ligand-Promoted meta-C?H Functionalization of Benzylamines

Wang, Peng,Farmer, Marcus E.,Yu, Jin-Quan

supporting information, p. 5125 - 5129 (2017/04/24)

Meta-C?H functionalization of benzylamines has been developed using a PdII/transient mediator strategy. Using 2-pyridone ligands and 2-carbomethoxynorbornene (NBE-CO2Me) as the mediator, arylation, amination, and chlorination of benzylamines are realized. This protocol features a broad substrate scope and is compatible with heterocylic coupling partners. Moreover, the loading of the Pd can be lowered to 2.5 mol % by using the optimal ligand.

ANDROGEN RECEPTOR MODULATOR FOR TREATMENT OF PROSTATE CANCER AND ANDROGEN RECEPTOR-ASSOCIATED DISEASES

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Paragraph 0084, (2016/11/14)

PROBLEM TO BE SOLVED: To provide a series of compounds that modulate the function of the nuclear hormone receptors, especially the androgen receptor. SOLUTION: The present invention relates to hydantoin compounds, methods of using such compounds in the treatment of androgen receptor-associated conditions, such as age-related diseases, for example, prostate cancer, and to pharmaceutical compositions containing such compounds. In an embodiment, a pharmaceutical composition includes a therapeutically effective amount of a compound according to the formula II, or a pharmaceutically acceptable salt thereof, and a pharmaceutically acceptable carrier, diluent, or adjuvant. The present invention provides a series of compounds that modulate the function of the nuclear hormone receptors, especially the androgen receptor. These compounds can cause disappearance of prostate cancer cells and tumors. COPYRIGHT: (C)2016,JPOandINPIT

Substituted diazaspiroalkanes as androgen receptor modulators

-

Page/Page column 19; 20; 21, (2016/08/10)

This invention provides for compounds of the Formula II: wherein A, B, Het, R1, R2 and R3 are as described herein. These compounds are androgen receptor modulators useful for the treatment of androgen receptor-associated conditions.

NOVEL IMIDAZOLIDINE-2, 4-DIONE DERIVATIVES

-

Page/Page column 17, (2015/07/16)

A subject of the present application is novel imidazolidine-2, 4-dione derivatives of general formula (I) These products have an anti-proliferative activity. They are particularly useful for treating the pathological states and the diseases linked to an abnormal cell proliferation such as cancers. The invention also relates to the pharmaceutical compositions containing said products and their use for the preparation of a medicament.

NOVEL IMIDAZOLIDINE-2,4-DIONE DERIVATIVES

-

Page/Page column 36, (2015/07/16)

A subject of the present application is novel imidazolidine-2,4-dione derivatives of formula (I). These products have an anti-proliferative activity. They are particularly useful for treating the pathological states and the diseases linked to an abnormal cell proliferation such as cancers. The invention also relates to the pharmaceutical compositions containing said products and their use for the preparation of a medicament.

ANDROGEN RECEPTOR ANTAGONISTS

-

Paragraph 0326, (2016/04/26)

Disclosed herein are compositions and methods for modulating the androgen receptor.

BENZAMIDE DERIVATIVE

-

Paragraph 1451; 1452, (2015/03/16)

The present invention relates to benzamide derivatives represented by formula (I) or pharmaceutically acceptable salts thereof.

Process Development and Multikilogram-Scale Synthesis of a TRPV1 Antagonist

Cleator, Ed,Scott, Jeremy P.,Avalle, Paulo,Bio, Matthew M.,Brewer, Sarah E.,Davies, Antony J.,Gibb, Andrew D.,Sheen, Faye J.,Stewart, Gavin W.,Wallace, Debra J.,Wilson., Robert D.

, p. 1561 - 1567 (2014/01/06)

The process development and multikilogram preparation of a TRPV1 antagonist, 1, is described. Pyrido[2,3-b]pyrazine 1 was prepared in a convergent manner by the coupling of two key fragments, glyoxal 2 and diamine 3. Glyoxal 2 was synthesized in six chemical steps in 20% overall yield, the key step being a challenging Grignard reaction to install the glyoxalate moiety. Diamine 3 was also prepared in six chemical steps in 46% overall yield, exploiting a regioselective nucleophilic aromatic substitution to obtain the key nitrodiamine intermediate 19.

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