1,2,3,4-Tetrahydroisoquinoline-1,3-dione

• CAS: 4456-77-3
• Catalog Number: ACM4456773
• Category: Other Products
• Molecular Weight: 161.15738
• Molecular Formula: C₉H₇NO₂
• Synonyms: 1,2,3,4-Tetrahydroisoquinoline-1,3-dione;1,3-[2H,4H]-Isoquinolinedione;4H-Isoquinoline-1,3-dione;Isoquinoline-1,3(2H,4H)-dione, >=98%;2,4-dihydroisoquinoline-1,3-dione;FR 038470;NSC 409146;2H,4H-1,3-Isoquinolinedione
• IUPAC Name: 4H-isoquinoline-1,3-dione
• SMILES: C1C2=CC=CC=C2C(=O)NC1=O
• InChI Key: QGNQEODJYRGEJX-UHFFFAOYSA-N
• Boiling Point: 377.148ºC at 760 mmHg
• Flash Point: 183.887ºC
• Density: 1.286g/cm³
• Exact Mass: 161.04800
• H-Bond Acceptor: 2
• H-Bond Donor: 1

Synthetic Use

Downstream Synthesis Route 1

• 4456-77-3

• 19493-45-9

Reference: [1] Journal of Medicinal Chemistry, 2007, vol. 50, # 15, p. 3651 - 3660

Downstream Synthesis Route 2

• 4456-77-3

• 34784-02-6
• 53987-60-3

Reference: [1] Bioorganic and Medicinal Chemistry, 2015, vol. 23, # 17, p. 5891 - 5908

Downstream Synthesis Route 3

• 4456-77-3

• 7742-73-6

Reference: [1] Patent: US2005/113576, 2005, A1, . Location in patent: Page/Page column 30

Downstream Synthesis Route 4

• 98-01-1
• 4456-77-3

• 60813-35-6

Reference: [1]Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences,1928,vol. 186,p. 1216
[2]Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences,1928,vol. 186,p. 1216
[3]Journal of Heterocyclic Chemistry,1976,vol. 13,p. 597 - 599

Downstream Synthesis Route 5

• 19611-63-3
• 4456-77-3

• 107943-48-6

Reference: [1]Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences,1959,vol. 248,p. 1182

Downstream Synthesis Route 6

• 120-57-0
• 4456-77-3

• 60813-34-5

Reference: [1]Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences,1928,vol. 186,p. 1216
[2]Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences,1928,vol. 186,p. 1216
[3]Bulletin de la Societe Chimique de France,1932,vol. <4> 51,p. 953,957, 961
[4]Journal of Heterocyclic Chemistry,1976,vol. 13,p. 597 - 599

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