5-Bromo-1,2-dihydro-3H-indazol-3-one
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5-Bromo-1,2-dihydro-3H-indazol-3-one
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CAS No:
7364-27-4
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Formula:
C7H5BrN2O
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Chemical Name:
5-Bromo-1,2-dihydro-3H-indazol-3-one
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Synonyms:
3H-Indazol-3-one,5-bromo-1,2-dihydro-;3-Indazolinone,5-bromo-;5-Bromo-1,2-dihydro-3H-indazol-3-one;5-Bromo-1H-indazol-3-ol;108961-60-0
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CAS No:
Safety Information
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501
H302
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
5-Bromo-1,2-dihydro-3H-indazol-3-one Use and Manufacturing
Part B: A solution of compound 301 B (1.02 g, 4.2 mmol) in 8 ml_ EtOH was treated with hydrazine monohydrate (4.0 mL, 80 mmol) and the reaction mixture stirred at 100 °C for 30 minutes in a Biotage microwave. Conversion was incomplete as determined by LCMS; therefore, the mixture was concentrated, and fresh EtOH (6 mL) and hydrazine monohydrate (6 mL) were added. The reaction mixture was again stirred at 100 CAP-004-20-1 (500 mg, 2.15 mmol) and hydrazine hydrate (2 ml) were added to ethanol (3ml). This reaction mixture was stirred for 2 h at 100 oc under microwave. The mixture was purified by preparative TLC (petroleum ether/ethyl acetate = 1 /2) to afford CAP-004-20-2(200 mg, 43 percent) as a white solid.CAP-004-20-2 (11 0 mg, 0.52 mmol), phenylboronic acid (94 mg, 0.78 mmol), Pd(1, 1'bis(diphenylphosphanyl)ferrocene)CI2 (8 mg) and K2C03 (142 mg, 1.03 mmol) were addedto 1 , 4-dioxane (2 ml). This reaction mixture was stirred for 1.5 h at 145 oc under microwave. The mixture was filtered and purified by preparative HPLC to afford CAP-004-20 (12 mg, 11 %) as a white solid.
Computed Properties
Molecular Weight:213.03
XLogP3:1.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Exact Mass:211.95853
Monoisotopic Mass:211.95853
Topological Polar Surface Area:41.1
Heavy Atom Count:11
Complexity:185
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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5-Bromo-1,2-dihydro-3H-indazol-3-one
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