5-BENZYLOXY-1H-INDAZOLE
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5-BENZYLOXY-1H-INDAZOLE
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CAS No:
78299-75-9
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Formula:
C14H12N2O
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Chemical Name:
5-BENZYLOXY-1H-INDAZOLE
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Synonyms:
5-BENZYLOXY-1H-INDAZOLE;1H-Indazole, 5-(phenylmethoxy)-;5-(Benzyloxy)indazole;5-(Phenylmethoxy)-1H-indazole
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CAS No:
Safety Information
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
5-BENZYLOXY-1H-INDAZOLE Use and Manufacturing
(Benzyloxy)-l H-indazole-152-4820V.1 A degassed DMF (30 mL) suspension of lH-indazol-5-ol (1.0 g, 7.5 mmol) and K2CO3 (2.0 g, 15 mmol) was treated with benzylbromide (0.98 mL, 8.20 mmol) at 0 oC. The reaction was stirred with cooling for 2 h and then allowed slowly to warm to rt overnight. Later the reaction mixture was diluted with HA degassed DMF (30mL) suspension of 1H-indazol-5-ol (1.0g, 7.5mmol) and KBenzyl bromide (0.089 ml, 0.745 mmol) and potassium carbonate (103 mg, 0.745 mmol) were added to a solution of the 1H-indazol-5-ol (100 mg, 0.745 mmol) obtained in Reference Example 4 in N, N-dimethylformamide (2 ml), and the resulting mixture was heated to 40°C. After 2 hours, the mixture was poured into water (20 ml) and extracted with ethyl acetate (20 ml x 2). The organic layer was dried over anhydrous magnesium sulfate. The organic layer dried was concentrated under reduced pressure and the resulting residue was purified by a silica gel column chromatography (eluent: hexane/ethyl acetate) to obtain 5-(benzyloxy)-1H-indazole (63 mg, 38percent). Melting point: 179-181°C
Computed Properties
Molecular Weight:224.26
XLogP3:3.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:224.094963011
Monoisotopic Mass:224.094963011
Topological Polar Surface Area:37.9
Heavy Atom Count:17
Complexity:240
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes