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METHYL 3-PYRIMIDIN-5-YL-ACRYLATE, with the molecular formula C9H8N2O2, is an acrylate ester derivative of pyrimidine. It serves as a versatile chemical building block in organic synthesis, characterized by its potential applications across various industries, including pharmaceuticals, agrochemicals, and materials science.

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  • 224776-14-1 Structure
  • Basic information

    1. Product Name: METHYL 3-PYRIMIDIN-5-YL-ACRYLATE
    2. Synonyms: METHYL 3-PYRIMIDIN-5-YL-ACRYLATE;(E)-methyl 3-(pyrimidin-5-yl)acrylate
    3. CAS NO:224776-14-1
    4. Molecular Formula: C8H8N2O2
    5. Molecular Weight: 164.16
    6. EINECS: N/A
    7. Product Categories: pyrimidine
    8. Mol File: 224776-14-1.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 290.2 °C at 760 mmHg
    3. Flash Point: 129.3 °C
    4. Appearance: /
    5. Density: 1.199 g/cm3
    6. Vapor Pressure: 0.0021mmHg at 25°C
    7. Refractive Index: 1.567
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. CAS DataBase Reference: METHYL 3-PYRIMIDIN-5-YL-ACRYLATE(CAS DataBase Reference)
    11. NIST Chemistry Reference: METHYL 3-PYRIMIDIN-5-YL-ACRYLATE(224776-14-1)
    12. EPA Substance Registry System: METHYL 3-PYRIMIDIN-5-YL-ACRYLATE(224776-14-1)
  • 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: 224776-14-1(Hazardous Substances Data)

224776-14-1 Usage

Uses

Used in Pharmaceutical Industry:
METHYL 3-PYRIMIDIN-5-YL-ACRYLATE is used as a key intermediate in the synthesis of pharmaceuticals for its ability to contribute to the development of new drugs. Its unique structure allows for the creation of diverse medicinal compounds with potential therapeutic properties.
Used in Agrochemical Industry:
In the agrochemical sector, METHYL 3-PYRIMIDIN-5-YL-ACRYLATE is utilized as a precursor in the production of agrochemicals, specifically for the development of pesticides and other crop protection agents. Its role is crucial in enhancing crop yields and ensuring food security.
Used in Materials Science:
METHYL 3-PYRIMIDIN-5-YL-ACRYLATE is employed as a component in the synthesis of advanced materials, contributing to the creation of innovative products with improved properties. Its integration into material formulations can lead to enhanced performance characteristics.
Used in Heterocyclic Compounds Synthesis:
METHYL 3-PYRIMIDIN-5-YL-ACRYLATE is used as a building block in the synthesis of various heterocyclic compounds, which are essential in organic chemistry and have wide-ranging applications in different fields.
Used in Chemical Research and Development:
METHYL 3-PYRIMIDIN-5-YL-ACRYLATE serves as a reagent in chemical research and development, facilitating scientific exploration and the advancement of chemical knowledge. Its use in research can lead to new discoveries and technological breakthroughs.
Used in Drug Candidate Development:
Due to its potential bioactivity, METHYL 3-PYRIMIDIN-5-YL-ACRYLATE is studied for its prospects as a drug candidate, indicating its importance in the discovery and development of new pharmaceutical agents.

Check Digit Verification of cas no

The CAS Registry Mumber 224776-14-1 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 2,2,4,7,7 and 6 respectively; the second part has 2 digits, 1 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 224776-14:
(8*2)+(7*2)+(6*4)+(5*7)+(4*7)+(3*6)+(2*1)+(1*4)=141
141 % 10 = 1
So 224776-14-1 is a valid CAS Registry Number.
InChI:InChI=1/C8H8N2O2/c1-12-8(11)3-2-7-4-9-6-10-5-7/h2-6H,1H3/b3-2+

224776-14-1Relevant articles and documents

PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP - PLA2

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Page/Page column 27, (2012/06/30)

The present invention relates to novel compounds that inhibit Lp-PLA2 activity, processes for their preparation, to compositions containing them and to their use in the treatment of diseases associated with the activity of Lp-PLA2, for example atherosclerosis, Alzheimer's disease, and/or diabetic macular edema (I).

Design, synthesis and X-ray crystallographic study of NAmPRTase inhibitors as anti-cancer agents

You, Hyun,Youn, Hyung-Seop,Im, Isak,Bae, Man-Ho,Lee, Sang-Kook,Ko, Hyojin,Eom, Soo Hyun,Kim, Yong-Chul

experimental part, p. 1153 - 1164 (2011/04/17)

NAmPRTase (PBEF/Visfatin) plays a pivotal role in the salvage pathway of NAD+ biosynthesis. NAmPRTase has been an attractive target for anti-cancer agents that induce apoptosis of tumor cells via a declining plasma NAD+ level. In this report, a series of structural analogs of FK866 (1), a known NAmPRTase inhibitor, was synthesized and tested for inhibitory activities against the proliferation of cancer cells and human NAmPRTase. Among them, compound 7 showed similar anti-cancer and enzyme inhibitory activities to compound 1. Further investigation of compound 7 with X-ray analysis revealed a co-crystal structure in complex with human NAmPRTase, suggesting that Asp219 in the active site of the enzyme could contribute to an additional interaction with the pyrrole nitrogen of compound 7.

A preparative route to methyl 3-(heteroaryl)acrylates using Heck methodology

Kwok, Thomas J.,Virgilio, Joseph A.

, p. 694 - 696 (2012/12/25)

Methyl 3-(heteroaryl)acrylates were prepared using Heck coupling of heteroarene halides with methyl acrylate mediated by Pd(OAc)2/ P(OCH3)3. Reactions were highly efficient (reaction times between 60 and 120 min) and scalable to 100 g of heteroarene halide. The isolated yields are from 76 to 99%.

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