1-Chloro-3,4-dihydrophthalazin-4-one

CAS

2257-69-4

Catalog Number

ACM2257694

Category

Other Products

Molecular Weight

180.59

Molecular Formula

C8H5ClN2O

MSDS COA Spec Sheet

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Specification

Synonyms

1-Chloro-3,4-dihydrophthalazin-4-one;4-Chloro-1,2-dihydrophthalazin-1-one;1-Chlorophthalazin-4-one;4-Chloro-1(2H)-phthalazinone

IUPAC Name

4-chloro-2H-phthalazin-1-one

Canonical SMILES

C1=CC=C2C(=C1)C(=O)NN=C2Cl

InChI Key

QCKGMJDOJRNSMS-UHFFFAOYSA-N

Boiling Point

452.7ºC at 760mmHg

Melting Point

265ºC

Flash Point

227.6ºC

Density

1.5g/cm³

Exact Mass

180.00900

Hazard Statements

Xi:Irritant;

H-Bond Acceptor

H-Bond Donor

Safety Description

S26-S37/39

Upstream Synthesis Route 1

4752-10-7

2257-69-4

Reference: [1]Drew; Hatt
[Journal of the Chemical Society, 1937, p. 16,25]
[2]Drew; Hatt
[Journal of the Chemical Society, 1937, p. 16,25]

Downstream Synthesis Route 1

2257-69-4

53242-88-9

Reference: [1] Patent: US2011/124642, 2011, A1, . Location in patent: Page/Page column 41

Downstream Synthesis Route 2

2257-69-4

763114-26-7

Reference: [1] Patent: CN108129397, 2018, A,

Downstream Synthesis Route 3

123-75-1
2257-69-4

78755-14-3
69776-14-3

Reference: [1]Lu, Dong; Liu, Jianan; Zhang, Yunzhe; Liu, Feifei; Zeng, Limin; Peng, Runze; Yang, Li; Ying, Huazhou; Tang, Wei; Chen, Wuhong; Zuo, Jianping; Tong, Xiankun; Liu, Tao; Hu, Youhong
[European Journal of Medicinal Chemistry, 2018, vol. 145, p. 328 - 337]
[2]Current Patent Assignee: Shanghai Institute of Materia Medica (in: CAS); CHINESE ACADEMY OF SCIENCES - CN109134429, 2019, A
Location in patent: Paragraph 0106; 0108; 0109; 0110
[3]Current Patent Assignee: CHINESE ACADEMY OF SCIENCES; Shanghai Institute of Materia Medica (in: CAS) - CN109384727, 2019, A
Location in patent: Paragraph 0092-0094
[4]Haworth; Robinson
[Journal of the Chemical Society, 1948, p. 777,781]
[5]Current Patent Assignee: Shanghai Institute of Materia Medica (in: CAS); CHINESE ACADEMY OF SCIENCES - CN112125881, 2020, A
Location in patent: Paragraph 0098-0101