4-Chloro-7-fluoro-6-nitro-quinazoline

CAS

162012-70-6

Catalog Number

ACM162012706

Category

Other Products

Molecular Weight

227.58

Molecular Formula

C₈H₃ClFN₃O₂

MSDS COA Spec Sheet

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Specification

Synonyms

4-CHLORO-7-FLUORO-6-NITRO-QUINAZOLINE

IUPAC Name

4-chloro-7-fluoro-6-nitroquinazoline

Canonical SMILES

C1=C2C(=CC(=C1[N+](=O)[O-])F)N=CN=C2Cl

InChI Key

UYQMNEZWVKRWMS-UHFFFAOYSA-N

Boiling Point

395.292ºC at 760 mmHg

Flash Point

192.866ºC

Density

1.649 g/cm³

Exact Mass

226.99000

H-Bond Acceptor

H-Bond Donor

Downstream Synthesis Route 1

367-21-5
162012-70-6

162012-67-1

Reference: [1] Patent: WO2011/84796, 2011, A2, . Location in patent: Page/Page column 55-56

Downstream Synthesis Route 2

367-21-5
98430-27-4
162012-70-6

267243-68-5

Reference: [1] Patent: US6664390, 2003, B2, . Location in patent: Page column 8-9

Downstream Synthesis Route 3

162012-70-6

267243-68-5

Reference: [1] Journal of Medicinal Chemistry, 2000, vol. 43, # 7, p. 1380 - 1397
[2] Bioorganic and Medicinal Chemistry, 2016, vol. 24, # 16, p. 3359 - 3370
[3] Bioorganic and Medicinal Chemistry, 2018, vol. 26, # 8, p. 1740 - 1750

Downstream Synthesis Route 4

2729-36-4
162012-70-6

848006-02-0

Reference: [1]Journal of Medicinal Chemistry,2005,vol. 48,p. 5337 - 5348
[2]Patent: WO2007/29251,2007,A2 .Location in patent: Page/Page column 56; Figure 3

Downstream Synthesis Route 5

162012-70-6

267243-64-1

Reference: [1]Smaill, Jeff B.; Rewcastle, Gordon W.; Loo, Joseph A.; Greis, Kenneth D.; Chan, O. Helen; Reyner, Eric L.; Lipka, Elke; Showalter, H. D. Hollis; Vincent, Patrick W.; Elliott, William L.; Denny, William A.
[Journal of Medicinal Chemistry, 2000, vol. 43, # 7, p. 1380 - 1397]
[2]Shao, Jiaan; Chen, En; Shu, Ke; Chen, Wenteng; Zhang, Guolin; Yu, Yongping
[Bioorganic and Medicinal Chemistry, 2016, vol. 24, # 16, p. 3359 - 3370]
[3]Hou, Weijie; Ren, Yan; Zhang, Zhenhua; Sun, Huan; Ma, Yongfen; Yan, Bo
[Bioorganic and Medicinal Chemistry, 2018, vol. 26, # 8, p. 1740 - 1750]