1,4-Dichloro-5,6,7,8-tetrahydrophthalazine
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1,4-Dichloro-5,6,7,8-tetrahydrophthalazine
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CAS No:
67279-24-7
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Formula:
C8H8Cl2N2
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Chemical Name:
1,4-Dichloro-5,6,7,8-tetrahydrophthalazine
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Synonyms:
Phthalazine,1,4-dichloro-5,6,7,8-tetrahydro-;1,4-Dichloro-5,6,7,8-tetrahydrophthalazine
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CAS No:
1,4-Dichloro-5,6,7,8-tetrahydrophthalazine Basic Attributes
203.071
203.07
DTXSID70504666
2933990090
Characteristics
25.8
3.1
1.4±0.1 g/cm3
156 °C @ Solvent: Ethanol
381.2°C at 760 mmHg
216.3±13.5 °C
1.583
1,4-Dichloro-5,6,7,8-tetrahydrophthalazine Use and Manufacturing
The suspension of compound 40 (2.09 g, 12.6 mmol) in POClThe suspension of 2, 3, 5, 6, 7, 8-Hexahydro-phthalazin-l, 4-dione (2.09 g, 12.6 mmol) in POClA mixture of 2, 3, 5, 6, 7, 8-Hexahydro-phthalazine-1 , 4-dione (855 mg, 5.14 mmol) and phosphorus oxychloride (5 mL) was heated under reflux conditions for 16 h. The reaction was poured into ice, and neutralized very carefully with solid sodium carbonate. The water layer was extrated with EtOAc (x2), and the combined organic layers were dried (sodium sulphate), filtered and concentrated. The crude was purified by trituration with Et[00132] To l, 4-dichloro-5, 6, 7, 8-tetrahydrophthalazine (406 mg, 2.0 mmol) in 2 mL THF was added hydrazine (704 uL, 704 mm, 12 mmol) and the mixture heated at 60 0C for 5.5 hours. To the mixture was added 3 mL of water and 10 mL EtOAc. The resulting suspension was filtered, washed with water (3x5 mL) and concentrated to provide Compound 29A as a pale tan powder (222 mg, 56%). LC/MS (m/z) = 199.7 (M+H)+.b A solution of
Computed Properties
Molecular Weight:203.07
XLogP3:3.1
Hydrogen Bond Acceptor Count:2
Exact Mass:202.0064537
Monoisotopic Mass:202.0064537
Topological Polar Surface Area:25.8
Heavy Atom Count:12
Complexity:147
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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1,4-Dichloro-5,6,7,8-tetrahydrophthalazine
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