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CAS Number: 21314-17-0
1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-ol

Structure

1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-ol
Name: 1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-ol
Synonyms:
General Information
Product Number: 21314170

CAS Registry Number 21314-17-0
Name:
4H-?Pyrazolo[3,?4-?d]?pyrimidin-?4-?one, 1,?5-?dihydro-?1-?phenyl-
1H-Pyrazolo[3,4-d]pyrimidin-4-ol, 1-phenyl- (6CI,7CI)
1,5-Dihydro-1-phenyl-4H-pyrazolo[3,4-d]pyrimidin-4-one
1-Phenyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
1-Phenyl-1H-Pyrazolo[3,4-d]pyrimidine-4-ol
1-Phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-ol

 

Chemical Formula: C11H8N4O
Exact Mass: 212.07
Molecular Weight: 212.21
m/z: 212.07 (100.0%), 213.07 (13.4%)

 

InChI:InChI=1S/C11H8N4O/c16-11-9-6-14-15(10(9)12-7-13-11)8-4-2-1-3-5-8/h1-7,14H

InChI Key:SVKPVSOBZKPDIY-UHFFFAOYSA-N

Canonical SMILES:C1=CC=C(C=C1)N2C3=NC=NC(=O)C3=CN2

 

Thermal Properties Value Condition Note
Melting Point 324.9 °C Solv: water (7732-18-5) (2)CAS
Melting Point 301-304 °C Solv: acetic acid (64-19-7) (7)IC
Melting Point 299 °C   (8)CAS
Melting Point 297-299 °C Solv: ethanol (64-17-5) (9)IC
Melting Point 297-299 °C Solv: methanol (67-56-1) (10)IC
Melting Point 297-298 °C Solv: methanol (67-56-1) (5)IC
Melting Point 295-298 °C   (11)IC
Melting Point 295-296 °C Solv: methanol (67-56-1) (12)IC

Specification

98%

References
  1. (2) Maddula, L. V. V. Pavan Kumar; Indian Journal of Heterocyclic Chemistry 2008, V18(1), P13-16 CAPLUS
  2. (3) Salaheldin, Abdellatif M.; Synthetic Communications 2009, V39(7), P1186-1195 CAPLUS
  3. (5) Miyashita, Akira; Heterocycles 1990, V31(7), P1309-14 CAPLUS
  4. (6) Davoodnia, A.; Indian Journal of Heterocyclic Chemistry 2006, V16(2), P151-154 CAPLUS
  5. (7) Press, Jeffery B.; Journal of Organic Chemistry 1983, V48(24), P4605-11 CAPLUS
  6. (8) Cheng, C. C.; Journal of Organic Chemistry 1956, V21, P1240-56 CAPLUS
  7. (9) Madhav, R.; Organic Preparations and Procedures International 1982, V14(6), P403-6 CAPLUS
  8. (10) Higashino, Takeo; Chemical & Pharmaceutical Bulletin 1976, V24(12), P3120-34 CAPLUS
  9. (11) Klemm, Kurt; Chemische Berichte 1981, V114(6), P2001-18 CAPLUS
  10. (12) Hayashi, Eisaku; Yakugaku Zasshi 1978, V98(7), P891-7 CAPLUS
  11. (13) Druey, Jean; DE 1044090 1958 CAPLUS
  12. (14) Raj, K. K. Vijaya; Journal of Pharmacology and Toxicology 2006, V1(6), P559-565 CAPLUS
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