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108397-75-7

5-Pyrimidinecarboxylic acid, 2,4,6-trimethyl(9CI), also known as trimethylpyrimidin-2,4,6-trione, is a chemical compound with the molecular formula C9H10N2O2. It is a derivative of pyrimidine, featuring a pyrimidine ring with three methyl groups attached to different positions. 5-Pyrimidinecarboxylic acid, 2,4,6-trimethyl(9CI) is utilized in the synthesis of pharmaceuticals and agrochemicals, and has potential applications in the development of new drugs and as a building block in organic chemistry. Due to its potential hazards if not handled properly, care should be taken during its use.

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  • 108397-75-7 Structure

  • Basic information

    1. Product Name: 5-Pyrimidinecarboxylic acid, 2,4,6-trimethyl- (9CI)
    2. Synonyms: 5-Pyrimidinecarboxylic acid, 2,4,6-trimethyl- (9CI)
    3. CAS NO:108397-75-7
    4. Molecular Formula: C8H10N2O2
    5. Molecular Weight: 166.1772
    6. EINECS: N/A
    7. Product Categories: PYRIMIDINE
    8. Mol File: 108397-75-7.mol

  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 308.5±37.0 °C(Predicted)
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.210±0.06 g/cm3(Predicted)
    6. Refractive Index: N/A
    7. Storage Temp.: 2-8°C
    8. Solubility: N/A
    9. PKA: 1.04±0.38(Predicted)
    10. CAS DataBase Reference: 5-Pyrimidinecarboxylic acid, 2,4,6-trimethyl- (9CI)(CAS DataBase Reference)
    11. NIST Chemistry Reference: 5-Pyrimidinecarboxylic acid, 2,4,6-trimethyl- (9CI)(108397-75-7)
    12. EPA Substance Registry System: 5-Pyrimidinecarboxylic acid, 2,4,6-trimethyl- (9CI)(108397-75-7)

  • 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: 108397-75-7(Hazardous Substances Data)

108397-75-7 Usage

Uses

Used in Pharmaceutical Industry:
5-Pyrimidinecarboxylic acid, 2,4,6-trimethyl(9CI) is used as a key intermediate in the synthesis of various pharmaceuticals for its potential role in the development of new drugs. Its unique structure allows it to be a valuable building block in medicinal chemistry, contributing to the creation of innovative therapeutic agents.
Used in Agrochemical Industry:
In the agrochemical sector, 5-Pyrimidinecarboxylic acid, 2,4,6-trimethyl(9CI) is utilized as a component in the synthesis of agrochemicals. Its properties make it suitable for the development of compounds that can be used in agriculture to improve crop protection and yield.
Used in Organic Chemistry Research:
5-Pyrimidinecarboxylic acid, 2,4,6-trimethyl(9CI) serves as a fundamental building block in organic chemistry. It is employed in research to explore new reactions and mechanisms, potentially leading to the discovery of novel chemical entities and applications.

Check Digit Verification of cas no

The CAS Registry Mumber 108397-75-7 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,0,8,3,9 and 7 respectively; the second part has 2 digits, 7 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 108397-75:
(8*1)+(7*0)+(6*8)+(5*3)+(4*9)+(3*7)+(2*7)+(1*5)=147
147 % 10 = 7
So 108397-75-7 is a valid CAS Registry Number.

108397-75-7SDS

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 2,4,6-trimethylpyrimidine-5-carboxylic acid

1.2 Other means of identification

Product number -
Other names 5-Pyrimidinecarboxylicacid,2,4,6-trimethyl

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:108397-75-7 SDS

108397-75-7Relevant articles and documents

PROCESS FOR THE PREPARATION AND PURIFICATION OF 2-(ALKOXYALKYLIDENE)-3-KETOALKANOIC ACID ESTERS FROM 3-KETOALKANOIC ACID ESTERS

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Page/Page column 23, (2008/06/13)

In its several embodiments, this invention discloses a novel process to prepare the compounds of Formula 3, wherein R1 is lower alkyl, and R2 and R3 can be the same or different, each being independently selected from the group consisting of alkyl, aryl a

Piperazine-based CCR5 antagonists as HIV-1 inhibitors. III: Synthesis, antiviral and pharmacokinetic profiles of symmetrical heteroaryl carboxamides

McCombie, Stuart W.,Tagat, Jayaram R.,Vice, Susan F.,Lin, Sue-Ing,Steensma, Ruo,Palani, Anandan,Neustadt, Bernard R.,Baroudy, Bahige M.,Strizki, Julie M.,Endres, Michael,Cox, Kathleen,Dan, Niya,Chou, Chuan-Chu

, p. 567 - 571 (2007/10/03)

The unsymmetrical nicotinamide-N-oxide moiety in compound 1 was replaced with symmetrical isonicotinamides as well as 4,6-dimethyl pyrimidine-5-carboxamides. Compound 16 from the latter set reduced the number of rotamers, improved potency of inhibiting UIV entry, slightly diminished the affinity for the muscarine receptors and showed very good oral absorption.

Oximino-piperidino-piperidine-based CCR5 antagonists. Part 2: Synthesis, SAR and biological evaluation of symmetrical heteroaryl carboxamides

Palani, Anandan,Shapiro, Sherry,Clader, John W.,Greenlee, William J.,Vice, Susan,McCombie, Stuart,Cox, Kathleen,Strizki, Julie,Baroudy, Bahige M.

, p. 709 - 712 (2007/10/03)

The synthesis, SAR and biological evaluation of symmetrical amide analogues of our clinical candidate SCH 351125 are described. A series of potent and orally bioavailable CCR5 antagonists containing symmetrical 2,6-dimethyl isonicotinamides and 2, 6-dimethyl pyrimidines amides were generated with enhanced affinity for the CCR5 receptor.

Piperazine derivatives useful as CCR5 antagonists

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Page column 87, (2010/02/05)

The use of CCR5 antagonists of the formula or a pharmaceutically acceptable salt thereof, wherein R is optionally substituted phenyl, pyridyl, thiophenyl or naphthyl; R1is hydrogen or alkyl; R2is substituted phenyl, substituted heter

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