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2,4(1H,3H)-Pyrimidinedione, 3-(4-chloro-2-fluorophenyl)-6-(trifluoromethyl)is a heterocyclic chemical compound that features a pyrimidinedione ring with a 3-(4-chloro-2-fluorophenyl) and 6-(trifluoromethyl) substituent. 2,4(1H,3H)-Pyrimidinedione,
3-(4-chloro-2-fluorophenyl)-6-(trifluoromethyl)is known for its unique structure and properties, which make it a promising candidate for pharmaceutical applications. The presence of chloro and fluoro groups in its molecular structure contributes to its potential utility in medicinal chemistry, particularly in the development of new drugs.

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  • 114136-63-9 Structure
  • Basic information

    1. Product Name: 2,4(1H,3H)-Pyrimidinedione, 3-(4-chloro-2-fluorophenyl)-6-(trifluoromethyl)-
    2. Synonyms:
    3. CAS NO:114136-63-9
    4. Molecular Formula: C11H5ClF4N2O2
    5. Molecular Weight: 308.62
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 114136-63-9.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: N/A
    3. Flash Point: N/A
    4. Appearance: N/A
    5. Density: N/A
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. CAS DataBase Reference: 2,4(1H,3H)-Pyrimidinedione, 3-(4-chloro-2-fluorophenyl)-6-(trifluoromethyl)-(CAS DataBase Reference)
    10. NIST Chemistry Reference: 2,4(1H,3H)-Pyrimidinedione, 3-(4-chloro-2-fluorophenyl)-6-(trifluoromethyl)-(114136-63-9)
    11. EPA Substance Registry System: 2,4(1H,3H)-Pyrimidinedione, 3-(4-chloro-2-fluorophenyl)-6-(trifluoromethyl)-(114136-63-9)
  • 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: 114136-63-9(Hazardous Substances Data)

114136-63-9 Usage

Uses

Used in Pharmaceutical Industry:
2,4(1H,3H)-Pyrimidinedione, 3-(4-chloro-2-fluorophenyl)-6-(trifluoromethyl)is used as a potential drug candidate for its potential biological activity and structural properties. 2,4(1H,3H)-Pyrimidinedione,
3-(4-chloro-2-fluorophenyl)-6-(trifluoromethyl)-'s specific characteristics make it valuable for research and development in the pharmaceutical sector, where it could be utilized in the creation of novel therapeutic agents.
Used in Medicinal Chemistry Research:
In the field of medicinal chemistry, 2,4(1H,3H)-Pyrimidinedione, 3-(4-chloro-2-fluorophenyl)-6-(trifluoromethyl)is used as a key intermediate or building block for the synthesis of more complex molecules with potential therapeutic applications. Its unique structure allows for further chemical modifications and optimizations, which could lead to the discovery of new drugs with improved efficacy and safety profiles.
Used in Drug Development:
2,4(1H,3H)-Pyrimidinedione, 3-(4-chloro-2-fluorophenyl)-6-(trifluoromethyl)is employed in drug development as a starting material or a scaffold for the design of new pharmaceutical compounds. Its presence in the molecular structure of potential drugs can influence their pharmacokinetic and pharmacodynamic properties, making it an important component in the development of innovative therapeutic agents.

Check Digit Verification of cas no

The CAS Registry Mumber 114136-63-9 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,1,4,1,3 and 6 respectively; the second part has 2 digits, 6 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 114136-63:
(8*1)+(7*1)+(6*4)+(5*1)+(4*3)+(3*6)+(2*6)+(1*3)=89
89 % 10 = 9
So 114136-63-9 is a valid CAS Registry Number.

114136-63-9SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 16, 2017

Revision Date: Aug 16, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-(4-chloro-2-fluorophenyl)-6-trifluoromethyl-2,4-(1H,3H)-pyrimidinedione

1.2 Other means of identification

Product number -
Other names 3-(4-chloro-2-fluorophenyl)6-trifluoromethyl-2,4(1H,3H)-pyrimidinedione

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:114136-63-9 SDS

114136-63-9Relevant articles and documents

Discovery of N-Phenylaminomethylthioacetylpyrimidine-2,4-diones as Protoporphyrinogen IX Oxidase Inhibitors through a Reaction Intermediate Derivation Approach

Wang, Da-Wei,Liang, Lu,Xue, Zhi-Yuan,Yu, Shu-Yi,Zhang, Rui-Bo,Wang, Xia,Xu, Han,Wen, Xin,Xi, Zhen

, p. 4081 - 4092 (2021)

Protoporphyrinogen oxidase (PPO, EC 1.3.3.4) is an effective target for green herbicide discovery. In this work, we reported the unexpected discovery of a novel series of N-phenylaminomethylthioacetylpyrimidine-2,4-diones (2-6) as promising PPO inhibitors

Design and synthesis of acrylate and acrylamide substituted pyrimidinediones as potential PPO herbicides

Choi, Jong-Soo,Kim, Jung Hee,Kwon, Young Bin,Lee, Kye Hwan,Lee, Won Hyung,Maezono, Shizuka Mei Bautista,Seu, Young-Bae

, (2021/01/07)

PPO herbicides emerge to be widely use in the agricultural field and a focus of research to many scientists due to its environmentally-friendly properties. In lieu with this, this study presents acrylate and acrylamide substituted pyrimidinediones as PPO herbicide candidates. Most synthesized compounds exhibits herbicidal activities against both monocot and dicot weeds, especially, compound 5a which showed non-selective superior activity against the commercialized, Saflufenacil. Compound 5a was further tested for residual effect and showed promising results as shorter period is needed to cultivate the next crops. The synthesized acrylate and acrylamide substituted pyrimidinediones, especially, 5a could potentially be utilized in the development of commercial protoporphyrinogen oxidase inhibitors with further tests and studies.

Synthesis of Cyclopropyl Ester and Amide Substituted Pyrimidinediones as Protoporphyrinogen Oxidase-Inhibiting Herbicides

Choi, Jong-Soo,Kwon, Young Bin,Lee, Kye Hwan,Lee, Won Hyung,Seu, Young-Bae

, p. 420 - 428 (2021/01/18)

The protoporphyrinogen oxidase (PPO) enzyme is involved in the biosynthesis of chlorophyll and is an important target in research for development of new herbicides. In this study, new pyrimidinedione compounds with thioester tail group containing cyclopropyl moiety are synthesized from the commercially available 2-(1-(mercaptomethyl)cyclopropyl)acetic acid. The herbicidal activity of the synthesized compounds is also evaluated. Most of the synthesized compounds exhibit herbicidal activities against both monocot and dicot weeds. In particular, 10a showed similar activity to the control material, Saflufenacil. And when against the monocot weeds, Echinochloa crusgalli and Digitaria sanguinalis, 10a shows superior activity to Saflufenacil.

SUBSTITUTED THIOPHENYL URACILS, SALTS THEREOF AND THE USE THEREOF AS HERBICIDAL AGENTS

-

Paragraph 0211-0212, (2021/04/02)

The invention relates to substituted thiophenyl uracils of general formula (I) or salts (I) thereof, wherein the groups in general formula (I) are as defined in the description, and to the use thereof as herbicides, in particular for controlling weeds and

SUBSTITUTED THIOPHENYL URACILS, SALTS THEREOF AND THE USE THEREOF AS HERBICIDAL AGENTS

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Paragraph 0224, (2020/11/27)

The invention relates to substituted thiophenyl uracils of general formula (I) or the salts (I) thereof, wherein the groups in general formula (I) are as defined in the description, and to the use thereof as herbicides, in particular for controlling weeds and/or weed grasses in crops of cultivated plants and/or as plant growth regulators for influencing the growth of crops of cultivated plants.

Herbicidal 3-(substituted benzoxazol-7-yl) and 3-(Substituted benzothiazol-7-yl)-1-substituted-6-trifluoromethyl-2 4-(1h 3h)pyrimidinediones

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, (2008/06/13)

Herbicidal 3-(substituted benzoxazol-7-yl) and 3-(substituted benzothiazol-7-yl)-1 -substituted-6-trifluoromethyl-2,4-(1H,3H)pyrimidinediones, compositions containing them, and methods of using them to control undesired plant growth are disclosed, as are novel intermediates used in the preparation of these compounds. The herbicidal compounds of the present invention are defined by the following generic structure: STR1 in which R is selected from a variety of substituents, including halogen, alkyl, alkenyl, alkynyl, phenyl, phenylalkyl, alkylphenylalkyl, haloalkyl, hydroxy, alkoxy, hydroxyalkyl, halophenyl, halophenylalkyl, alkoxyphenyl, sulfhydryl, alkylthio, piperidinyl, alkylamino, alkoxyalkyl, phenoxy, amino, alkylsulfonylamino, phenylsulfonylamino, and carboxy; R1 is alkyl or amino; R2 is hydrogen or halogen; X is oxygen or sulfur; Y is hydrogen, halogen, alkoxy, cyano, or nitro, and; Z is halogen; where halogen is bromine, chlorine, fluorine, or iodine, and each alkyl, alkoxy, alkenyl, or alkynyl moiety has one to six carbon atoms.

3-Aryluracils having an ether (thio) carbomyloxy or sulphomyloxy substituent on the aromatic moiety

-

, (2008/06/13)

The invention is concerned with 3-aryluracils of the formula STR1 wherein R1, R2, R3, R4, R5 and R6 are as described herein, as well as salts thereof and their manufacture, weed control compositions which contain such compounds as the active substance and the use of the active substances or compositions for weed control. The invention is also concerned with herbicidally-active starting materials and weed control compositions containing these.

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