4,6-PYRIMIDINE DICARBOXYLIC ACID

Base Information

• Chemical Name: 4,6-PYRIMIDINE DICARBOXYLIC ACID
• CAS No.: 16490-02-1
• Molecular Formula: C6H4N2O4
• Molecular Weight: 168.109
• Hs Code.: 2933599090
• Mol file: 16490-02-1.mol

Synonyms:4,6-Pyrimidine dicarboxylic acid;

Chemical Property of 4,6-PYRIMIDINE DICARBOXYLIC ACID

Chemical Property:

• Vapor Pressure: 1.04E-10mmHg at 25°C
• Melting Point: 238-240℃
• Refractive Index: 1.638
• Boiling Point: 497.4 °C at 760 mmHg
• PKA: 2.14±0.10(Predicted)
• Flash Point: 254.6 °C
• PSA: 100.38000
• Density: 1.665 g/cm³
• LogP: -0.12700
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C

Purity/Quality:

98%,99%, ^*data from raw suppliers

4,6-PyrimidinedicarboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Uses: 4,6-Pyrimidinedicarboxylic Acid is used in the preparation of inhibitor scaffolds that inhibit the human 2-oxoglutarate-dependent JMJD2 subfamily of histone demethylases.

Technology Process of 4,6-PYRIMIDINE DICARBOXYLIC ACID

There total 5 articles about 4,6-PYRIMIDINE DICARBOXYLIC ACID which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 86.0%

pyrimidine-4,6-dicarboxylic acid dimethyl ester (6345-43-3) → pyrimidine-4,6-dicarboxylic acid (16490-02-1)

Guidance literature:

With sodium hydroxide; In methanol; at 20 ℃; for 2h;

DOI:10.1021/jm800936s

Reference yield:

4,6-dimethylpyrimidine (1558-17-4) → pyrimidine-4,6-dicarboxylic acid (16490-02-1)

Guidance literature:

With potassium permanganate; water;

Reference yield:

4,6-dimethylpyrimidine-2(1H)-thione hydrochloride (62501-45-5) → pyrimidine-4,6-dicarboxylic acid (16490-02-1)

Guidance literature:

Multi-step reaction with 2 steps

1: Raney nickel; aq.-ethanolic HCl

2: KMnO₄

With hydrogenchloride; potassium permanganate; nickel;

upstream raw materials:

4,6-dimethylpyrimidine

4,6-dimethylpyrimidine-2(1H)-thione hydrochloride

2-chloro-4,6-dimethylpyrimidine

pyrimidine-4,6-dicarboxylic acid dimethyl ester

Downstream raw materials:

6-(4-fluoro-3-methyl-benzylcarbamoyl)-pyrimidine-4-carboxylic acid

Refernces

• 1、 -. "HISTONE LYSINE DEMETHYLASE INHIBITORS". Page/Page column 77. . Retrieved 2010/04/30.
• 2、 Rose, Nathan R.,Ng, Stanley S.,Mecinovi?, Jasmin,Liénard, Beno?t M. R.,Bello, Simon H.,Sun, Zhe,McDonough, Michael A.,Oppermann, Udo,Schofield, Christopher J.. "Inhibitor scaffolds for 2-oxoglutarate-dependent histone lysine demethylases". supporting information; experimental part. p. 7053 - 7056. Retrieved 2009/11/30.