4-Chloro-2-phenylpyrimidine-5-carbonyl chloride

Base Information

• Chemical Name: 4-Chloro-2-phenylpyrimidine-5-carbonyl chloride
• CAS No.: 66206-81-3
• Molecular Formula: C11H6Cl2N2O
• Molecular Weight: 253.087
• DSSTox Substance ID: DTXSID70364848
• Nikkaji Number: J449.939E
• Wikidata: Q82149029

Synonyms:4-chloro-2-phenylpyrimidine-5-carbonyl chloride;66206-81-3;4-chloro-2-phenyl-5-pyrimidinecarbonyl chloride;DTXSID70364848;EN300-1459054;AC-907/34122010;2-Phenyl-4-chloropyrimidine-5-carboxylic acid chloride

Chemical Property of 4-Chloro-2-phenylpyrimidine-5-carbonyl chloride

Chemical Property:

• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 251.9857182
• Heavy Atom Count: 16
• Complexity: 256

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=NC=C(C(=N2)Cl)C(=O)Cl

Technology Process of 4-Chloro-2-phenylpyrimidine-5-carbonyl chloride

There total 3 articles about 4-Chloro-2-phenylpyrimidine-5-carbonyl chloride 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: 50.0%

4-hydroxy-2-phenyl-pyrimidine-5-carboxylic acid (56406-26-9) → 4-chloro-2-phenylpyrimidine-5-carbonyl chloride (66206-81-3)

Guidance literature:

With phosphorus pentachloride; at 130 ℃; for 1h;

DOI:10.1039/P19920000239

Reference yield:

benzamidine monohydrochloride (1670-14-0) → 4-chloro-2-phenylpyrimidine-5-carbonyl chloride (66206-81-3)

Guidance literature:

Multi-step reaction with 3 steps

1: 62 percent / NaOH / 1 h / Ambient temperature

2: 70 percent / aq. KOH

3: 50 percent / PCl₅ / 1 h / 130 °C

With potassium hydroxide; sodium hydroxide; phosphorus pentachloride;

DOI:10.1039/P19920000239

Reference yield:

4-hydroxy-2-phenyl-5-pyrimidinecarboxylic acid ethyl ester (55613-22-4) → 4-chloro-2-phenylpyrimidine-5-carbonyl chloride (66206-81-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 70 percent / aq. KOH

2: 50 percent / PCl₅ / 1 h / 130 °C

With potassium hydroxide; phosphorus pentachloride;

DOI:10.1039/P19920000239

upstream raw materials:

4-hydroxy-2-phenyl-pyrimidine-5-carboxylic acid

benzamidine monohydrochloride

4-hydroxy-2-phenyl-5-pyrimidinecarboxylic acid ethyl ester

Downstream raw materials:

6-phenyl-1H-pyrazolo<3,4-d>pyrimidin-3(2H)-one

N,N'-bis(6-phenyl-1H-pyrazolo<3,4-d>pyrimidin-3-yl)hydrazine

C₁₈H₁₄ClN₇S

7-(p-chlorophenylamino)-2-phenyl-9H-<1,2,4>triazolo<3',4':3,2>pyrazolo<3,4-d>pyrimidine

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