2-Phenyl-4-pyrimidinecarboxylic acid chloride

Base Information

• Chemical Name: 2-Phenyl-4-pyrimidinecarboxylic acid chloride
• CAS No.: 179260-79-8
• Molecular Formula: C11H7ClN2O
• Molecular Weight: 218.642
• DSSTox Substance ID: DTXSID801274208
• Mol file: 179260-79-8.mol

Synonyms:SCHEMBL7968702;NSXBSEUADNEPCS-UHFFFAOYSA-N;DTXSID801274208;4-Pyrimidinecarbonyl chloride, 2-phenyl-;2-phenyl-4-pyrimidinecarboxylic acid chloride;179260-79-8

Chemical Property of 2-Phenyl-4-pyrimidinecarboxylic acid chloride

Chemical Property:

• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 218.0246905
• Heavy Atom Count: 15
• Complexity: 229

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 2-Phenyl-4-pyrimidinecarboxylic acid chloride

There total 1 articles about 2-Phenyl-4-pyrimidinecarboxylic acid 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:

2-phenylpyrimidine-4-carboxylic acid (16879-53-1) → 2-phenyl-4-pyrimidinecarboxylic acid chloride (179260-79-8)

Guidance literature:

In thionyl chloride;

Reference yield:

2-phenyl-4-pyrimidinecarboxylic acid chloride (179260-79-8) → (2-phenylpyrimidin-4-yl)methanol (38705-90-7)

Guidance literature:

With sodium hydroxide; In tetrahydrofuran; ethyl acetate;

upstream raw materials:

2-phenylpyrimidine-4-carboxylic acid

Downstream raw materials:

(2-phenylpyrimidin-4-yl)methanol