127958-10-5

Basic information

• Product Name: 2-METHYL-4-PHENYL-5-PYRIMIDINECARBOXYLIC ACID
• Synonyms: 2-METHYL-4-PHENYL-5-PYRIMIDINECARBOXYLIC ACID;2-methyl-4-phenyl-5-pyrimidinecarboxylic acid(SALTDATA: FREE);2-Methyl-4-phenylpyriMidin-5-carboxylic acid;5-Carboxy-2-methyl-4-phenylpyrimidine, 5-Carboxy-2-methyl-4-phenyl-1,3-diazine;CC 20101;SDCCGMLS-0066023.P001;5-Pyrimidinecarboxylic acid, 2-methyl-4-phenyl-
• CAS NO: 127958-10-5
• Molecular Formula: C₁₂H₁₀N₂O₂
• Molecular Weight: 214.22
• Mol File: 127958-10-5.mol

Chemical Properties

• Melting Point: 216-217
• Boiling Point: 375.2°Cat760mmHg
• Flash Point: 180.7°C
• Appearance: /
• Density: 1.26g/cm³
• Vapor Pressure: 2.69E-06mmHg at 25°C
• Refractive Index: 1.608
• PKA: 2.17±0.10(Predicted)
• CAS DataBase Reference: 2-METHYL-4-PHENYL-5-PYRIMIDINECARBOXYLIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 2-METHYL-4-PHENYL-5-PYRIMIDINECARBOXYLIC ACID(127958-10-5)
• EPA Substance Registry System: 2-METHYL-4-PHENYL-5-PYRIMIDINECARBOXYLIC ACID(127958-10-5)

Safety Data

• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 26
• Hazardous Substances Data: 127958-10-5(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
2-METHYL-4-PHENYL-5-PYRIMIDINECARBOXYLIC ACID is used as a starting material for the synthesis of pharmaceuticals due to its potential to act as a building block in organic synthesis, contributing to the development of new drugs with diverse therapeutic applications.
Used in Agrochemical Industry:
In the agrochemical industry, 2-METHYL-4-PHENYL-5-PYRIMIDINECARBOXYLIC ACID is utilized as a starting material for the synthesis of agrochemicals, playing a crucial role in the development of new pesticides and other agricultural chemicals to improve crop protection and yield.
Used in Drug Discovery and Development:
2-METHYL-4-PHENYL-5-PYRIMIDINECARBOXYLIC ACID is used as a potential candidate for drug discovery and development, owing to its biological activities such as anticancer and antimicrobial properties, as well as its inhibitory effects on several enzymes, which could lead to the creation of novel therapeutic agents.
Used in Enzyme Inhibition Research:
This chemical compound is employed in enzyme inhibition research as it has been reported to exhibit inhibitory effects on various enzymes, making it valuable for studying enzyme mechanisms and developing enzyme-targeted therapies.

InChI:InChI=1/C12H10N2O2/c1-8-13-7-10(12(15)16)11(14-8)9-5-3-2-4-6-9/h2-7H,1H3,(H,15,16)

Upstream product

• 127957-93-1 2-methyl-4-phenyl-pyrimidine-5-carboxylic acid ethyl ester 
• 94-02-0 ethyl 3-oxo-3-phenylpropionate 
• 66129-60-0 ethyl-3-(dimethylamino)-2-(phenylcarbonyl)prop-2-enoate 

Downstream Products

• 21203-79-2 2-methyl-6-phenylpyrimidine 
• 1253959-18-0 2-methyl-5-[(2-methyl-1-pyrrolidinyl)carbonyl]-4-phenylpyrimidine 

Relevant articles and documents

Optimisation of pharmacokinetic properties in a neutral series of 11β-HSD1 inhibitors

11β-HSD1 is increasingly seen as an attractive target for the treatment of type II diabetes and other elements of the metabolic syndrome. In this program of work we describe how a series of neutral 2-thioalkyl-pyridine 11β-HSD1 inhibitors were optimized in terms of their pharmacokinetic properties to give compounds with excellent bioavailability in both rat and dog through a core change to pyrimidine. A potential reactive metabolite issue with 4-thioalkyl-pyrimidines was circumvented by a switch from sulfur to carbon substitution.

PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES

The invention relates to novel phenethylamide derivatives and their heterocyclic analogues of formula (I), wherein A, B, R1, R2 and R3 are as described in the application, and to the use of such compounds, or of pharmaceut

SUBSTITUTED PYRIMIDIN-5-CARBOXAMIDES 281

A compound of formula (I): and pharmaceutically-acceptable salts thereof wherein the variable groups are defined within; their use in the inhibition of 11betaHSD1, processes for making them and pharmaceutical compositions comprising them are also described.

Reaction of 2-Dimethylaminomethylene-1,3-diones with Dinucleophiles. VIII. Synthesis of Ethyl and Methyl 2,4-Disubstituted 5-Pyrimidinecarboxylates

Reaction of ethyl or methyl 2-dimethylaminomethylene-3-oxoalkanoates with N-C-N dinucleophiles such as guanidine, acetamidine or benzamidine afforded in high yields the relative esters of 4-substituted 2-amino-, 2-methyl- or 2-phenyl-5-pyrimidinecarboxylic acids, respectively.These esters were hydrolyzed to the corresponding carboxylic acids, which were converted by heating to 4-substituted 2-pyrimidinamines, 2-methyl or 2-phenylpyrimidines, respectively, generally in excellent yields.The 4-unsubstituted ethyl 2-amino-, 2-methyl- and 2-phenyl-5-pyrimidinecarboxylateswere obtained in moderate yields by reaction of the above dinucleophiles with ethyl 2,2-diformylacetate.These esters were hydrolyzed and the corresponding acids (with the exception of the 2-methyl derivative) were decarboxylated to give 2-pyrimidinamine and 2-phenylpyrimidine in satisfactory yields.