4-(4-Chloro-benzyl)-2H-phthalazin-1-one

Name: 4-(4-Chloro-benzyl)-2H-phthalazin-1-one
SKU: ACM53242889
Rating: 5 (1 reviews)

CAS

53242-88-9

Catalog Number

ACM53242889

Category

Other Products

Molecular Weight

270.72

Molecular Formula

C₁₅H₁₁ClN₂O

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Specification

Synonyms

4-(4-chloro-benzyl)-2h-phthalazin-1-one;4-[(4-chlorophenyl)methyl]phthalazin-1(2h)-one;4-(4-Chlorobenzyl)-1,2-dihydrophthalazine-1-one

IUPAC Name

4-[(4-chlorophenyl)methyl]-2H-phthalazin-1-one

Canonical SMILES

C1=CC=C2C(=C1)C(=NNC2=O)CC3=CC=C(C=C3)Cl

InChI Key

NLXGCQIEVZYDRS-UHFFFAOYSA-N

Boiling Point

522.3ºC at 760 mmHg

Flash Point

269.7ºC

Density

1.32 g/cm³

EC Number

258-445-3

Exact Mass

270.05600

H-Bond Acceptor

H-Bond Donor

Upstream Synthesis Route 1

94801-28-2

53242-88-9

Reference: [1] Patent: WO2007/122156, 2007, A1, . Location in patent: Page/Page column 114-115

Upstream Synthesis Route 2

105279-16-1

53242-88-9

Reference: [1] Bioorganic and Medicinal Chemistry Letters, 2006, vol. 16, # 15, p. 4075 - 4079
[2] Molecules, 2013, vol. 18, # 3, p. 3479 - 3501
[3] Bioorganic and Medicinal Chemistry Letters, 2001, vol. 11, # 16, p. 2123 - 2126
[4] Bioorganic and Medicinal Chemistry Letters, 2006, vol. 16, # 10, p. 2786 - 2790
[5] Archiv der Pharmazie, 1988, vol. 321, # 4, p. 205 - 208

Upstream Synthesis Route 3

87-41-2
104-88-1

53242-88-9

Reference: [1] Patent: WO2018/80216, 2018, A1, . Location in patent: Page/Page column 56-57

Upstream Synthesis Route 4

20526-97-0

53242-88-9

Reference: [1]Synthetic Communications,2013,vol. 43,p. 1127 - 1137
[2]Journal of Medicinal Chemistry,1993,vol. 36,p. 4052 - 4060
[3]Bioorganic and Medicinal Chemistry Letters,2003,vol. 13,p. 2769 - 2772
[4]Journal of Chemical Sciences,2012,vol. 124,p. 1007 - 1012
[5]Patent: DE1046625,1957,

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