6-Bromo-2,3-Dihydroquinolin-4(1H)-One

• CAS: 76228-06-3
• Catalog Number: ACM76228063
• Category: Other Products
• Molecular Weight: 226.06992
• Molecular Formula: C9H8BrNO
• Synonyms: 6-BROMO-2,3-DIHYDROQUINOLIN-4(1H)-ONE, 76228-06-3, 6-Bromo-2,3-dihydro-1H-quinolin-4-one, AG-H-04135, 6-bromo-1,2,3,4-tetrahydroquinolin-4-one, BAS 00087640, AC1LFT1U, Ambcb5647151, SureCN3015932, Oprea1_166254, Oprea1_265034, CTK5E2616, MolPort-001-892-492, ANW-50759, ZINC00226106, AKOS015834555, AB06523, MCULE-6792843742, AK-24973, BR-24973
• IUPAC Name: 6-bromo-2,3-dihydro-1H-quinolin-4-one
• Canonical SMILES: C1CNC2=C(C1=O)C=C(C=C2)Br
• InChI Key: WAFBCQPOMZIGTJ-UHFFFAOYSA-N
• Boiling Point: 359.1ºC at 760 mmHg
• Flash Point: 171ºC
• Density: 1.559 g/cm³
• Exact Mass: 224.97900
• H-Bond Acceptor: 2
• H-Bond Donor: 1

Synthetic Use

Upstream Synthesis Route 1

• 4295-36-7

• 76228-06-3

Reference: [1] Journal of Medicinal Chemistry, 2014, vol. 57, # 19, p. 8111 - 8131
[2] Patent: WO2005/95326, 2005, A2, . Location in patent: Page/Page column 248
[3] Patent: WO2005/87714, 2005, A2, . Location in patent: Page/Page column 125-126

Upstream Synthesis Route 2

• 90561-83-4

• 76228-06-3

Reference: [1] Patent: WO2009/39553, 2009, A1, . Location in patent: Page/Page column 93

Upstream Synthesis Route 3

• 7661-25-8

• 76228-06-3

Reference: [1] Australian Journal of Chemistry, 2011, vol. 64, # 4, p. 454 - 470
[2] Journal of Medicinal Chemistry, 2015, vol. 58, # 22, p. 8952 - 8969
[3] Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1980, p. 2105 - 2111

Upstream Synthesis Route 4

• 875827-47-7

• 76228-06-3

Reference: [1]Journal of the American Chemical Society,1954,vol. 76,p. 5065,5067

Upstream Synthesis Route 5

• 7661-25-8

• 76228-06-3

Reference: [1]Australian Journal of Chemistry,2011,vol. 64,p. 454 - 470
[2]Journal of Medicinal Chemistry,2015,vol. 58,p. 8952 - 8969
[3]Journal of the Chemical Society. Perkin transactions I,1980,p. 2105 - 2111
[4]Patent: WO2019/89412,2019,A1 .Location in patent: Page/Page column 127; 128