isopropanyl 2,4-dichloropyriMidine-5-carboxylate

Base Information

• Chemical Name: isopropanyl 2,4-dichloropyriMidine-5-carboxylate
• CAS No.: 69312-43-2
• Molecular Formula: C8H8Cl2N2O2
• Molecular Weight: 235.07
• Mol file: 69312-43-2.mol

Synonyms:isopropanyl 2,4-dichloropyrimidine-5-carboxylate;

Chemical Property of isopropanyl 2,4-dichloropyriMidine-5-carboxylate

Chemical Property:

• Boiling Point: 317.8±22.0 °C(Predicted)
• PKA: -4.42±0.29(Predicted)
• PSA: 52.08000
• Density: 1.374±0.06 g/cm3(Predicted)
• LogP: 2.34860
• Storage Temp.: Inert atmosphere,Store in freezer, under -20°C

Purity/Quality:

99% ^*data from raw suppliers

Isopropyl2,4-dichloropyrimidine-5-carboxylate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of isopropanyl 2,4-dichloropyriMidine-5-carboxylate

There total 2 articles about isopropanyl 2,4-dichloropyriMidine-5-carboxylate 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: 81.0%

isopropyl alcohol (67-63-0,8013-70-5) + 2,4-dichloropyrimidine-5-carbonyl chloride (2972-52-3) → 2,4-dichloropyrimidine-5-carboxylic acid isopropyl ester (69312-43-2)

Guidance literature:

In tetrahydrofuran; at 20 ℃; Cooling with ice;

Reference yield:

2,4-dihydroxypyrimidine-5-carboxylic acid (23945-44-0,76821-79-9) → 2,4-dichloropyrimidine-5-carboxylic acid isopropyl ester (69312-43-2)

Guidance literature:

Multi-step reaction with 2 steps

1: trichlorophosphate; phosphorus pentachloride / Reflux

2: tetrahydrofuran / 20 °C / Cooling with ice

With phosphorus pentachloride; trichlorophosphate; In tetrahydrofuran;

Reference yield: 93.0%

2,4-dichloropyrimidine-5-carboxylic acid isopropyl ester (69312-43-2) + 1,2-diamino-benzene (95-54-5) → 4-((2-aminophenyl)amino)-2-chloropyrimidine-5-carboxylic acid isopropyl ester

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In isopropyl alcohol; at 20 ℃; Cooling with ice;

upstream raw materials:

isopropyl alcohol

2,4-dichloropyrimidine-5-carbonyl chloride

2,4-dihydroxypyrimidine-5-carboxylic acid

Downstream raw materials:

1-methylethyl 2-chloro-4-[[3-[[(phenylmethoxy)carbonyl]amino]propyl]amino]pyrimidine-5-carboxylate

isopropyl 2-((5-acrylamido-4-((2-(dimethylamino)ethyl) (methyl)amino)-2-methoxyphenyl)amino)-4-(1-methyl-1H-indol-3-yl)pyrimidine-5-carboxylate monosuccinate

Refernces

• 1、 -. "Nitrogen-containing heterocyclic compound, pharmaceutical composition and application thereof". Paragraph 0098; 0103-0106. . Retrieved 2020/03/06.
• 2、 -. "CHK-, PDK- AND AKT-INHIBITORY PYRIMIDINES, THEIR PRODUCTION AND USE AS PHARMACEUTICAL AGENTS". Page 99. . Retrieved 2008/06/13.