2-(3-AMINO-PHENYL)-BENZOOXAZOL-5-YLAMINE
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2-(3-AMINO-PHENYL)-BENZOOXAZOL-5-YLAMINE
structure -
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CAS No:
13676-47-6
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Formula:
C13H11N3O
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Chemical Name:
2-(3-AMINO-PHENYL)-BENZOOXAZOL-5-YLAMINE
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Synonyms:
ASISCHEM Y80324;ART-CHEM-BB B025308;AKOS BB-8278;2-(3-AMINO-PHENYL)-BENZOOXAZOL-5-YLAMINE;TIMTEC-BB SBB009788;5-Amino-2-(4-aminophenyl)benzoxazole;5-Amino-2-(p-aminophenyl)benzoxazole;2-(4-Aminophenyl)-5-aminobenzoxazole
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CAS No:
2-(3-AMINO-PHENYL)-BENZOOXAZOL-5-YLAMINE Basic Attributes
225.25
225.09000
1592732-453-0
DTXSID10346724
2934999090
Characteristics
78.1
2.1
1.329
231-233°C
435.2±25.0 °C(Predicted)
217ºC
1.729
>33.8 [ug/mL]
Refrigerator
Safety Information
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P201, P202, P264, P280, P281, P302+P352, P305+P351+P338, P308+P313, P321, P332+P313, P337+P313, P362, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
2-(3-AMINO-PHENYL)-BENZOOXAZOL-5-YLAMINE Use and Manufacturing
At room temperature, Add 2-(4-nitrophenyl)-5-nitrobenzoxazole (3.22 g, to a 100 mL ml single-necked flask, 0.01 mol) and 50 mL of water, Adding phosphoric acid, Adjust the pH below 1.JoinSodium thiosulfitesolidbody(8.5g, 0.06mol), Warming up to 100 ° C, Continuous reaction for 16 h.After going to room temperature, filter, The filtrate was neutralized to a pH of 7 by adding a 25 wtpercent aqueous solution of sodium carbonate.The product precipitates from the reaction system, filter, Washed many times, dry, 2.14 g of the product 2-(4-aminophenyl)-5-aminobenzoxazole were obtained (yield 95percent, purity (HPLC) >99.9percent).After the product 5 was dissolved in THF, the metal catalyst Pd / C was added and placed in a hydrogenation tank, Heating and stirring the hydrogen pressure of 260psi (adjust the amount of visible raw materials) hydrogenation reaction, hydrogenation temperature of 50 ~ 60 , and so no longer consume hydrogen and then cool down.The reaction can be carried out using a TLC test piece (eluent: ethyl acetate: n-hexane = 1: 1, Rf = 0.16) to confirm whether the reaction is complete. After the reaction was complete, the Pd / C was filtered, The reaction solution was poured into 1200 ml of n-hexane to precipitate a solid. Filter to collect solids, And dried in a vacuum oven to give 73 g of product 6: Yield 80percent.Step B
Computed Properties
Molecular Weight:225.25
XLogP3:2.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:225.090211983
Monoisotopic Mass:225.090211983
Topological Polar Surface Area:78.1
Heavy Atom Count:17
Complexity:265
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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2-(3-AMINO-PHENYL)-BENZOOXAZOL-5-YLAMINE
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