2-Phenylpyrimidine-5-carboxamide

Base Information

• Chemical Name: 2-Phenylpyrimidine-5-carboxamide
• CAS No.: 122773-96-0
• Molecular Formula: C11H9N3O
• Molecular Weight: 199.21
• DSSTox Substance ID: DTXSID80554091
• Wikidata: Q82434919
• Mol file: 122773-96-0.mol

Synonyms:2-phenylpyrimidine-5-carboxamide;122773-96-0;2-Phenyl-5-pyrimidinecarboxamide;5-Pyrimidinecarboxamide,2-phenyl-;2-PHENYL-2-PYRIMIDINE-5-CARBOXYLIC ACID AMIDE;5-carbamoyl-2-phenylpyrimidine;SCHEMBL1244783;DTXSID80554091;AKOS006240705

Chemical Property of 2-Phenylpyrimidine-5-carboxamide

Chemical Property:

• Boiling Point: 329.3 °C at 760 mmHg
• Flash Point: 153 °C
• PSA: 68.87000
• Density: 1.246 g/cm³
• LogP: 1.94280
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 199.074561919
• Heavy Atom Count: 15
• Complexity: 218

Purity/Quality:

99% ^*data from raw suppliers

2-Phenyl-5-pyrimidinecarboxamide ^*data from reagent 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)C(=O)N

Technology Process of 2-Phenylpyrimidine-5-carboxamide

There total 6 articles about 2-Phenylpyrimidine-5-carboxamide 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%

2-phenylpyrimidine-5-carbonyl chloride (122774-00-9) → 2-phenylpyrimidine-5-carboxylic acid amide (122773-96-0)

Guidance literature:

With ammonium hydroxide; In water; for 2h;

DOI:10.1007/BF00475329

Reference yield: 41.0%

ethanol (64-17-5) + 5-amidino-2-phenylpyrimidine hydrochloride (122773-94-8) → 2-phenylpyrimidine-5-carboxylic acid ethyl ester (85386-14-7) + 2-phenylpyrimidine-5-carboxylic acid amide (122773-96-0)

Guidance literature:

With piperidine; nitromalondialdehyde sodium salt; In 1,4-dioxane; at 20 ℃; for 3h;

DOI:10.1007/BF00529883

Reference yield: 41.0%

5-amidino-2-phenylpyrimidine hydrochloride (122773-94-8) + sodium nitromalonaldehyde (34461-00-2) → 2-phenylpyrimidine-5-carboxylic acid amide (122773-96-0) + 5-nitro-2'-phenyl-2,5'-bipyrimidine (152037-73-5)

Guidance literature:

With piperidine; In 1,4-dioxane; ethanol; at 20 ℃; for 3h;

DOI:10.1007/BF00529883

upstream raw materials:

ethanol

5-amidino-2-phenylpyrimidine hydrochloride

2-phenylpyrimidine-5-carbonyl chloride

sodium nitromalonaldehyde

Downstream raw materials:

2-phenylpyrimidine-5-carboxylic acid ethyl ester

2-phenylpyrimidine-5-carbonitrile