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CAS No.: | 34523-34-7 |
---|---|
Name: | 4-[1-(hydroxyamino)ethylidene]cyclohexa-2,5-dien-1-one |
Article Data: | 36 |
Molecular Structure: | |
Formula: | C8H9NO2 |
Molecular Weight: | 151.165 |
Synonyms: | Acetophenone,4'-hydroxy-, oxime (7CI);1-(4-Hydroxyphenyl)-1-ethanone oxime;1-(4-Hydroxyphenyl)ethanone oxime;4'-Hydroxyacetophenone oxime;NSC 77904;p-Hydroxyacetophenone oxime; |
Density: | 1.246 g/cm3 |
Melting Point: | 142-144°C |
Boiling Point: | 294.8 °C at 760 mmHg |
Flash Point: | 132.1 °C |
PSA: | 52.82000 |
LogP: | 1.59040 |
4-Hydroxyacetophenone
4-hydroxyacetophenone oxime
Conditions | Yield |
---|---|
With hydroxylamine hydrochloride; sodium acetate In ethanol; water Reflux; | 100% |
With hydroxylamine hydrochloride; sodium acetate In water for 1h; Heating; | 98% |
With hydroxylamine hydrochloride; sodium acetate In ethanol; water Reflux; | 91% |
Conditions | Yield |
---|---|
With hydroxylamine hydrochloride In acetonitrile at 70℃; for 15h; | A 90% B 8% |
With hydroxylamine hydrochloride at 70 - 110℃; Solvent; chemoselective reaction; |
4-Hydroxyacetophenone
A
N-Methyl 4-hydroxy benzamide
B
4-acetaminophenol
C
4-hydroxyacetophenone oxime
Conditions | Yield |
---|---|
With hydroxylamine sulfate at 80℃; for 2.5h; | A 15% B 85% C n/a |
With hydroxylamine sulfate at 80℃; for 2.5h; | A 15% B 83% C n/a |
N-Methyl 4-hydroxy benzamide
4-hydroxyacetophenone oxime
Conditions | Yield |
---|---|
With hydrogenchloride; acetic acid In water at 75℃; for 10h; Retrobeckmann rearrangement; | 80% |
Conditions | Yield |
---|---|
With ammonium hydroxide In water | 21.0 g (92.6%) |
With ammonium hydroxide In water | 21.0 g (92.6%) |
With ammonium hydroxide In water | 21.0 g (92.6%) |
Conditions | Yield |
---|---|
With hydroxylamine hydrochloride In pyridine |
4-hydroxyacetophenone oxime
4-acetaminophenol
Conditions | Yield |
---|---|
With 1,1,1,3',3',3'-hexafluoro-propanol; perfluoropinacol; 2-methoxycarbonylphenylboronic acid In nitromethane at 20℃; for 24h; Beckmann Rearrangement; chemoselective reaction; | 99% |
With 2,2-dichloro-1,3-dicyclohexylimidazolidine-4,5-dione In acetonitrile at 80℃; for 0.333333h; Inert atmosphere; Schlenk technique; Green chemistry; | 98% |
With carbon tetrabromide; Eosin Y; N,N-dimethyl-formamide In acetonitrile at 20℃; for 14h; Beckmann Rearrangement; Irradiation; Inert atmosphere; Green chemistry; | 96% |
4-hydroxyacetophenone oxime
4-Hydroxyacetophenone
Conditions | Yield |
---|---|
With toluene-4-sulfonic acid at 20℃; for 0.0166667h; neat (no solvent); | 96% |
With water; dihydrogen peroxide; iodine In acetonitrile at 20℃; for 12h; | 92% |
With formic acid; silica gel for 0.05h; microwave irradiation; | 91% |
Conditions | Yield |
---|---|
With m-nitrobenzene boronic acid at 20℃; for 12h; | 95% |
4-hydroxyacetophenone oxime
N-Methyl 4-hydroxy benzamide
Conditions | Yield |
---|---|
With boron trifluoride diethyl etherate In diethyl ether at 20℃; for 1h; Beckmann rearrangement; | 95% |
With trifluoroacetic acid In acetonitrile at 109.84℃; Beckmann Rearrangement; Autoclave; |
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This chemical is called Ethanone,1-(4-hydroxyphenyl)-, oxime, and its systematic name is 4-[1-(hydroxyamino)ethylidene]cyclohexa-2,5-dien-1-one. With the molecular formula of C8H9NO2, its molecular weight is 151.16. The CAS registry number of this chemical is 34523-34-7. Additionally, its product categories are Aromatic Hydrazides, Hydrazines, Hydrazones and Oximes.
Other characteristics of the Ethanone,1-(4-hydroxyphenyl)-, oxime can be summarised as followings: (1)ACD/LogP: 0.04; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.04; (4)ACD/LogD (pH 7.4): 0.04; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 25.01; (8)ACD/KOC (pH 7.4): 24.99; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.591; (14)Molar Refractivity: 40.98 cm3; (15)Molar Volume: 121.2 cm3; (16)Polarizability: 16.24×10-24cm3; (17)Surface Tension: 52.6 dyne/cm; (18)Density: 1.246 g/cm3; (19)Flash Point: 132.1 °C; (20)Enthalpy of Vaporization: 62 kJ/mol; (21)Boiling Point: 294.8 °C at 760 mmHg; (22)Vapour Pressure: 0.000166 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C\1/C=C\C(=C(/NO)C)/C=C/1
2.InChI: InChI=1/C8H9NO2/c1-6(9-11)7-2-4-8(10)5-3-7/h2-5,9,11H,1H3
3.InChIKey: NOGIFJNJJZFUDN-UHFFFAOYAZ