N-(4-Methoxyphenyl)-3-oxobutanamide
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N-(4-Methoxyphenyl)-3-oxobutanamide
structure -
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CAS No:
5437-98-9
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Formula:
C11H13NO3
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Chemical Name:
N-(4-Methoxyphenyl)-3-oxobutanamide
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Synonyms:
Butanamide,N-(4-methoxyphenyl)-3-oxo-;p-Acetoacetanisidide;N-(4-Methoxyphenyl)-3-oxobutanamide;4′-Methoxyacetoacetanilide;N-(4-Methoxyphenyl)acetoacetamide;p-Methoxyacetoacetanilide;Acetoacetic acid p-anisidide;NSC 116392;NSC 16508;NSC 216130;N-(4-Methoxyphenyl)acetylacetamide
- Categories:
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CAS No:
N-(4-Methoxyphenyl)-3-oxobutanamide Basic Attributes
207.23
207.23
226-615-6
YCG3918U16
116392|216130|16508
DTXSID7044689
2924299090
Characteristics
55.4
1.5
Green - off-white powder.
1.2±0.1 g/cm3
117-118 °C
346.25°C (rough estimate)
201.7±24.6 °C
1.553
H2O: soluble
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
Safety Information
22
26-36/37/39
AK4598010
Xn
Stable under normal temperatures and pressures.
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, P501
H302
|Warning|H302 (98.21%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501|Aggregated GHS information provided by 143 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
N-(4-Methoxyphenyl)-3-oxobutanamide Use and Manufacturing
General procedure: To a stirred solution of amine (0.01 mol) in 10 ml of PEG-300 was added to ethylacetoacatate (0.03 mol) in100 ml round bottom flask and refluxed at 120 C for 1.5–2 h. After completion of the reaction (monitored by TLC) the reaction mixture was cooled and extracted with cold diethyl ether (3 × 10 mL) and purified by column chromatography (10–25percent EtOAc in Hexane) gave the pure product 3a–p. Final products were confirmed with the reported literature.General procedure: A mixture of ethylacetoacetate 5 (10.0 g, 76.8 mmol) and aniline 6a (7.0 mL, 76.8 mmol) were taken into a round bottom flask and refluxed under stirring for 24 h. The mixture was concentrated under vacuum and then the crude product was purified by column chromatography using EtOAc:hexane to give acetoacetanilide 8a as white crystalline solid in 42percent yield.
Used as dye intermediate
Butanamide, N-(4-methoxyphenyl)-3-oxo-: ACTIVE
Computed Properties
Molecular Weight:207.23
XLogP3:1.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:207.08954328
Monoisotopic Mass:207.08954328
Topological Polar Surface Area:55.4
Heavy Atom Count:15
Complexity:232
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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N-(4-Methoxyphenyl)-3-oxobutanamide
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