2-amino-5-ethylbenzoicacid
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2-amino-5-ethylbenzoicacid
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CAS No:
2475-82-3
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Formula:
C9H11NO2
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Chemical Name:
2-amino-5-ethylbenzoicacid
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Synonyms:
AKOSBBS-00008777;OTAVA-BB7011090009;UKRORGSYN-BBBBV-237782;2-amino-5-ethylbenzoicacid;2-amino-5-ethylbenzoicacid(SALTDATA:FREE)
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CAS No:
2-amino-5-ethylbenzoicacid Use and Manufacturing
NaOH (6.5 g, 162.5 mmol) was dissolved in distilled water (52 mL), cooled to below 30 ° C, 5-Ethylindole-2, 3-dione (2) (9.6 g, 54.8 mmol) was added slowly and dissolved with stirring.Ice bath was cooled to below 15 ° C, 30percent H2O2 was slowly dropped (15.6g), the control temperature at 15-20 ° C.The addition is complete, maintaining the temperature at 15-20 ° C, to continue the reaction 1h.Slowly dropping glacial acetic acid, adjusting the pH to 5-6, a yellow solid precipitated, the precipitated solid was collected by filtration, washed with a small amount of cold water, and dried.The crude product was recrystallized from EtOH / H2O = 1: 1 to give 3.4 g of a yellow solid in a yield of 38percent,
Computed Properties
Molecular Weight:165.19
XLogP3:2.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:165.078978594
Monoisotopic Mass:165.078978594
Topological Polar Surface Area:63.3
Heavy Atom Count:12
Complexity:170
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes