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CAS Number: 107558-48-5
4-(pyridin-4-ylmethyl)phthalazin-1(2H)-one

Structure

 4-(pyridin-4-ylmethyl)phthalazin-1(2H)-one
Name: 4-(pyridin-4-ylmethyl)phthalazin-1(2H)-one
Synonyms:
General Information
Product Number: 107558485

CAS Registry Number 107558-48-5
Name:
1(2H)?-?Phthalazinone, 4-?(4-?pyridinylmethyl)?-
1(2H)-Phthalazinone, 4-(4-pyridylmethyl)- (6CI)
4-[(Pyridin-4-yl)methyl]-2H-phthalazin-1-one

 

Chemical Formula: C14H11N3O
Exact Mass: 237.09
Molecular Weight: 237.26
m/z: 237.09 (100.0%), 238.09 (16.3%), 239.10 (1.1%)

 

InChI:InChI=1S/C14H11N3O/c18-14-12-4-2-1-3-11(12)13(16-17-14)9-10-5-7-15-8-6-10/h1-8H,9H2,(H,17,18)

InChI Key:NIQMWTLRDNQDIA-UHFFFAOYSA-N

Canonical SMILES:C1=CC=C2C(=C1)C(=NNC2=O)CC3=CC=NC=C3

 

Thermal Properties Value Condition Note
Melting Point 212-213 °C   (1)CAS
Melting Point 212-213 °C   (2)CAS
Melting Point 208-210 °C   (3)CAS
Melting Point 208-210 °C Solv: ethanol (64-17-5) (4)CAS

Specification

98%
References
  1. (1) Bold, Guido; Journal of Medicinal Chemistry 2000, V43(12), P2310-2323 CAPLUS
  2. (2) Haider, N.; Science of Synthesis 2004, V16, P315-372 CAPLUS
  3. (3) Druey, Jean; DE 1061788 1959 CAPLUS
  4. (4) Druey, Jean; US 2960504 1960 CAPLUS
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