PYRIMIDINE-4-CARBOXYLIC ACID METHYL ESTER

Base Information

• Chemical Name: PYRIMIDINE-4-CARBOXYLIC ACID METHYL ESTER
• CAS No.: 2450-08-0
• Molecular Formula: C6H6N2O2
• Molecular Weight: 138.126
• Hs Code.: 2933599090
• Mol file: 2450-08-0.mol

Synonyms:Methyl4-pyrimidinecarboxylate;NSC 78314;

Chemical Property of PYRIMIDINE-4-CARBOXYLIC ACID METHYL ESTER

Chemical Property:

• Vapor Pressure: 0.092mmHg at 25°C
• Melting Point: 63-68 °C
• Refractive Index: 1.513
• Boiling Point: 224.3 °C at 760 mmHg
• PKA: -0.83±0.10(Predicted)
• Flash Point: 89.4 °C
• PSA: 52.08000
• Density: 1.213 g/cm³
• LogP: 0.26320
• Storage Temp.: 2-8°C

Purity/Quality:

99% ^*data from raw suppliers

Pyrimidine-4-carboxylic acid methyl ester ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of PYRIMIDINE-4-CARBOXYLIC ACID METHYL ESTER

There total 4 articles about PYRIMIDINE-4-CARBOXYLIC ACID METHYL ESTER 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: 85.0%

methanol (67-56-1) + pyrimidine-4-carboxylic acid (31462-59-6) → methyl pyrimidine-4-carboxylate (2450-08-0)

Guidance literature:

With sulfuric acid; for 16h; Heating / reflux;

Reference yield: 57.55%

pyrimidine-4-carboxylic acid (31462-59-6) → methyl pyrimidine-4-carboxylate (2450-08-0)

Guidance literature:

With hydrogenchloride; methanol; In water; at 20 ℃; Heating / reflux;

Reference yield:

4-Methylpyrimidine (3438-46-8) → methyl pyrimidine-4-carboxylate (2450-08-0)

Guidance literature:

Multi-step reaction with 2 steps

1: pyridine; selenium(IV) oxide / 6 h / 60 - 85 °C

2: sulfuric acid / 16 h / Reflux

With pyridine; selenium(IV) oxide; sulfuric acid;

DOI:10.1021/acs.jmedchem.7b00443

upstream raw materials:

methanol

pyrimidine-4-carboxylic acid

4-Methylpyrimidine

Downstream raw materials:

pyrimidine-4-carboxylic acid hydrazide

4-(hydroxymethyl)pyrimidine

2-mercapto-3-methyl-6-pyrimidin-4-yl-3H-pyrimidin-4-one

2-chloro-3-methyl-6-(pyrimidin-4-yl)-pyrimidine-4-one

Refernces

• 1、 Okawa, Tomohiro,Aramaki, Yoshio,Yamamoto, Mitsuo,Kobayashi, Toshitake,Fukumoto, Shoji,Toyoda, Yukio,Henta, Tsutomu,Hata, Akito,Ikeda, Shota,Kaneko, Manami,Hoffman, Isaac D.,Sang, Bi-Ching,Zou, Hua,Kawamoto, Tetsuji. "Design, Synthesis, and Evaluation of the Highly Selective and Potent G-Protein-Coupled Receptor Kinase 2 (GRK2) Inhibitor for the Potential Treatment of Heart Failure". . p. 6942 - 6990. Retrieved 2017/09/07.
• 2、 -. "ARYL SULFONAMIDES". Page 52-53. . Retrieved 2008/06/13.