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4,6-dichloro-2-methyl-5-phenylpyrimidine is a pyrimidine derivative with the molecular formula C11H8Cl2N2. It features a pyrimidine ring substituted with two chlorine atoms at the 4th and 6th positions, a methyl group at the 2nd position, and a phenyl group at the 5th position. This chemical compound serves as a versatile building block in organic synthesis and has been investigated for its potential biological activities, such as anti-inflammatory and anti-cancer properties.

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  • 31778-27-5 Structure
  • Basic information

    1. Product Name: 4,6-dichloro-2-methyl-5-phenylpyrimidine
    2. Synonyms: 4,6-dichloro-2-methyl-5-phenylpyrimidine
    3. CAS NO:31778-27-5
    4. Molecular Formula:
    5. Molecular Weight: 239.104
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 31778-27-5.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: 4,6-dichloro-2-methyl-5-phenylpyrimidine(CAS DataBase Reference)
    10. NIST Chemistry Reference: 4,6-dichloro-2-methyl-5-phenylpyrimidine(31778-27-5)
    11. EPA Substance Registry System: 4,6-dichloro-2-methyl-5-phenylpyrimidine(31778-27-5)
  • 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: 31778-27-5(Hazardous Substances Data)

31778-27-5 Usage

Uses

Used in Pharmaceutical Synthesis:
4,6-dichloro-2-methyl-5-phenylpyrimidine is utilized as an intermediate in the synthesis of various pharmaceuticals. Its unique structure allows for the development of new drugs with potential therapeutic applications.
Used in Agrochemical Synthesis:
4,6-dichloro-2-methyl-5-phenylpyrimidine is also employed in the synthesis of agrochemicals, contributing to the development of new pesticides or other agricultural products to improve crop protection and yield.
Used in Organic Synthesis as a Building Block:
4,6-dichloro-2-methyl-5-phenylpyrimidine serves as a valuable building block in organic synthesis, enabling the creation of a wide range of chemical compounds for various applications.
Used in Biological Research:
Due to its potential biological activities, including anti-inflammatory and anti-cancer properties, 4,6-dichloro-2-methyl-5-phenylpyrimidine is used in biological research to explore its therapeutic potential and understand its mechanisms of action.
Used in Material Science:
4,6-dichloro-2-methyl-5-phenylpyrimidine may have potential use in the development of new materials, owing to its unique chemical structure and properties, which could be harnessed in various material science applications.

Check Digit Verification of cas no

The CAS Registry Mumber 31778-27-5 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 3,1,7,7 and 8 respectively; the second part has 2 digits, 2 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 31778-27:
(7*3)+(6*1)+(5*7)+(4*7)+(3*8)+(2*2)+(1*7)=125
125 % 10 = 5
So 31778-27-5 is a valid CAS Registry Number.

31778-27-5Relevant articles and documents

4-Amino-5-aryl-6-arylethynylpyrimidines: Structure-activity relationships of non-nucleoside adenosine kinase inhibitors

Matulenko, Mark A.,Paight, Ernest S.,Frey, Robin R.,Gomtsyan, Arthur,DiDomenico Jr., Stanley,Jiang, Meiqun,Lee, Chih-Hung,Stewart, Andrew O.,Yu, Haixia,Kohlhaas, Kathy L.,Alexander, Karen M.,McGaraughty, Steve,Mikusa, Joseph,Marsh, Kennan C.,Muchmore, Steven W.,Jakob, Clarissa L.,Kowaluk, Elizabeth A.,Jarvis, Michael F.,Bhagwat, Shripad S.

, p. 1586 - 1605 (2008/02/01)

A series of non-nucleoside adenosine kinase (AK) inhibitors is reported. These inhibitors originated from the modification of 5-(3-bromophenyl)-7-(6-morpholin-4-ylpyridin-3-yl)pyrido[2,3-d]pyrimidin-4-ylamine (ABT-702). The identification of a linker that would approximate the spatial arrangement found between the pyrimidine ring and the aryl group at C(7) in ABT-702 was a key element in this modification. A search of potential linkers led to the discovery of an acetylene moiety as a suitable scaffold. It was hypothesized that the aryl acetylenes, ABT-702, and adenosine bound to the active site of AK (closed form) in a similar manner with respect to the orientation of the heterocyclic base. Although potent acetylene analogs were discovered based on this assumption, an X-ray crystal structure of 5-(4-dimethylaminophenyl)-6-(6-morpholin-4-ylpyridin-3-ylethynyl)pyrimidin-4-ylamine (16a) revealed a binding orientation contrary to adenosine. In addition, this compound bound tightly to a unique open conformation of AK. The structure-activity relationships and unique ligand orientation and protein conformation are discussed.

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