4-Quinazolinamine,N-(3-chloro-4-fluorophenyl)-7-fluoro-6-nitro-

• CAS: 162012-67-1
• Catalog Number: ACM162012671
• Category: Other Products
• Molecular Weight: 336.6808
• Molecular Formula: C₁₄H₇ClF₄N₄O₂
• Synonyms: 4-Quinazolinamine, N-(3-chloro-4-fluorophenyl)-7-fluoro-6-nitro-;N-(3-chloro-4-fluorophenyl)-7-fluoro-6-nitroquinazolin-4-amine
• IUPAC Name: N-(3-chloro-4-fluorophenyl)-7-fluoro-6-nitroquinazolin-4-amine
• Canonical SMILES: C1=CC(=C(C=C1NC2=NC=NC3=CC(=C(C=C32)[N+](=O)[O-])F)Cl)F
• InChI Key: CJOJDNRJDBWZKM-UHFFFAOYSA-N
• Boiling Point: 488.589ºC at 760 mmHg
• Flash Point: 249.29ºC
• Density: 1.617 g/cm³
• Exact Mass: 336.02300
• H-Bond Acceptor: 7
• H-Bond Donor: 1

Synthetic Use

Upstream 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

Upstream Synthesis Route 2

• 162012-69-3
• 367-21-5

• 162012-67-1

Reference: [1] Patent: EP3181553, 2017, A1, . Location in patent: Paragraph 0123; 0124

Upstream Synthesis Route 3

• 367-21-5
• 4637-24-5

• 162012-67-1

Reference: [1] Patent: EP3181553, 2017, A1, . Location in patent: Paragraph 0129

Downstream Synthesis Route 1

• 4441-30-9
• 162012-67-1

• 267243-64-1

Reference: [1]Patent: US2014/206687,2014,A1 .Location in patent: Paragraph 0319-0322

Downstream Synthesis Route 2

• 162012-67-1

• 267243-28-7

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]

Downstream Synthesis Route 3

• 67-56-1
• 162012-67-1

• 179552-74-0

Reference: [1]Patent: CN103987700,2016,B .Location in patent: Paragraph 0182-0184

* For details of the synthesis route, please refer to the original source to ensure accuracy.