CAS
500-42-5 Purity
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500-42-5 Purity
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4-Methyl-2H-Phthalazin-1-One
CAS
5004-48-8
Catalog Number
ACM5004488
Category
Other Products
Molecular Weight
160.17
Molecular Formula
C9H8N2O
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Specification
Synonyms
Hydroxy-4-methylphthalazine;4-Methyl-2H-phthalazin-1-one
IUPAC Name
4-methyl-2H-phthalazin-1-one
Canonical SMILES
CC1=NNC(=O)C2=CC=CC=C12
InChI Key
QRNVHFPDZAZUGX-UHFFFAOYSA-N
Boiling Point
423.3ºC at 760mmHg
Melting Point
223-224ºC
Flash Point
209.8ºC
Density
1.26g/cm³
Appearance
Colourless Cyrstalline Solid
Exact Mass
160.06400
H-Bond Acceptor
2
H-Bond Donor
1
Upstream Synthesis Route 1
- 577-56-0
- 5004-48-8
Reference: [1]Allart, Brigitte; Auberval, Marielle; Blanc, Javier; Borgonovi, Monica; Brys, Reginald; Bucher, Denis; Christophe, Thierry; Coornaert, Beatrice; De Wachter, Maxim; Duys, Inge; El Bkassiny, Sandy; Heckmann, Bertrand; Houvenaghel, Nicolas; Jagerschmidt, Catherine; Jans, Mia; Jansen, Koen; Jaunet, Alex; Lecru, Lola; Letfus, Vatroslav; Mammoliti, Oscar; Marsais, Florence; Menet, Christel; Oste, Line; Palisse, Adeline; Poljak, Tanja; Pujuguet, Philippe; Rupcic, Renata; Saniere, Laurent; Smehil, Mario; Sonck, Kathleen; Triballeau, Nicolas; Tricarico, Giovanni; Waeckel, Ludovic; Wakselman, Emanuelle
[Journal of Medicinal Chemistry, 2021, vol. 64, # 19, p. 14557 - 14586]
Downstream Synthesis Route 1
- 5004-48-8
- 74-88-4
- 28081-56-3
Reference: [1]Huestis, Malcolm P.
[Journal of Organic Chemistry, 2016, vol. 81, # 24, p. 12545 - 12552]
[2]Rowe; Peters
[Journal of the Chemical Society, 1933, p. 1331,1334]
Downstream Synthesis Route 2
- 5004-48-8
- 6091-76-5
Reference: [1]Helberger et al.
[Justus Liebigs Annalen der Chemie, 1938, vol. 533, p. 197,210]
* For details of the synthesis route, please refer to the original source to ensure accuracy.
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