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CAS Number: 16054-93-6
2-phenyl-4H-pyrido[1,2-a]pyrimidin-4-one

Structure

 2-phenyl-4H-pyrido[1,2-a]pyrimidin-4-one
Name: 2-phenyl-4H-pyrido[1,2-a]pyrimidin-4-one
Synonyms:
General Information
Product Number: 16054936

CAS Registry Number 16054-93-6
Name:
4H-​Pyrido[1,​2-​a]​pyrimidin-​4-​one, 2-​phenyl-
2-Phenyl-4H-pyrido[1,2-a]pyrimidin-4-one
NSC 156830

 

Chemical Formula: C14H10N2O
Exact Mass: 222.08
Molecular Weight: 222.24
m/z: 222.08 (100.0%), 223.08 (15.9%), 224.09 (1.1%)

 

InChI:InChI=1S/C14H10N2O/c17-14-10-12(11-6-2-1-3-7-11)15-13-8-4-5-9-16(13)14/h1-10H

InChI Key:VAKQBHALQXEEAG-UHFFFAOYSA-N

Canonical SMILES:C1=CC=C(C=C1)C2=CC(=O)N3C=CC=CC3=N2

 

Thermal Properties Value Condition Note
Melting Point 148-149 °C Solv: ethyl acetate (141-78-6) (4)CAS
Melting Point 147-148 °C   (1)CAS
Melting Point 144-145 °C Solv: ethanol (64-17-5); hexane (110-54-3) (2)CAS

Specification

98%
References
  1. (1) Molnar, Annamaria; Organic & Biomolecular Chemistry 2011, V9(19), P6559-6565 CAPLUS
  2. (2) Bonacorso, Helio G.; Journal of Heterocyclic Chemistry 2006, V43(1), P229-233 CAPLUS
  3. (4) La Motta, Concettina; Journal of Medicinal Chemistry 2007, V50(20), P4917-4927 CAPLUS
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