2-Methoxyethyl 2-[(3-nitrophenyl)methylene]-3-oxobutanoate
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![2-Methoxyethyl 2-[(3-nitrophenyl)methylene]-3-oxobutanoate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/1ca5ad342d0d46708729b82a96606ef1.png "2-Methoxyethyl 2-[(3-nitrophenyl)methylene]-3-oxobutanoate")
2-Methoxyethyl 2-[(3-nitrophenyl)methylene]-3-oxobutanoate
structure -
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CAS No:
39562-22-6
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Formula:
C14H15NO6
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Chemical Name:
2-Methoxyethyl 2-[(3-nitrophenyl)methylene]-3-oxobutanoate
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Synonyms:
Butanoic acid,2-[(3-nitrophenyl)methylene]-3-oxo-,2-methoxyethyl ester;2-Methoxyethyl 2-[(3-nitrophenyl)methylene]-3-oxobutanoate;2-Methoxyethyl 2-(3-nitrobenzylidene)acetoacetate;2-Methoxyethyl 2-(m-nitrobenzylidene)acetoacetate;2-Methoxyethyl 2-(3-nitrobenzylidene)-3-oxobutanoate;2-Methoxyethyl2-(3-nitrobenzylidene)-3-oxobutanoate
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CAS No:
2-Methoxyethyl 2-[(3-nitrophenyl)methylene]-3-oxobutanoate Basic Attributes
293.27
293.27
254-511-0
2918300090
Characteristics
98.4
1.7
a white crystalline
1.3±0.1 g/cm3
72-74ºC
433.4°C at 760 mmHg
202.7±29.3 °C
1.564
Safety Information
P260, P261, P264, P271, P272, P273, P280, P284, P302+P352, P304+P340, P305+P351+P338, P310, P320, P321, P333+P313, P337+P313, P363, P391, P403+P233, P405, P501
H317
|Danger|H317 (66.67%): May cause an allergic skin reaction [Warning Sensitization, Skin]|P260, P261, P264, P271, P272, P273, P280, P284, P302+P352, P304+P340, P305+P351+P338, P310, P320, P321, P333+P313, P337+P313, P363, P391, P403+P233, P405, and P501|Aggregated GHS information provided by 3 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
2-Methoxyethyl 2-[(3-nitrophenyl)methylene]-3-oxobutanoate Use and Manufacturing
1. In a 250 ml bottle, added material a: 2-(3-nitrophenylmethylene)acetoacetic acid methyl ester (54g, 0.184mol) and material b:3-amino-2-butenoic acid cinnamyl ester (40g, 0.184mol) and anhydrous ethanol (80g), heating reflux 1 hour; 2. To step 1 added concentrated hydrochloric acid to the reaction system (> 35percent) 3.31 ml, continue to reflux for 1 hour, the rear cooling crystallization, filtering to obtain cilnidipine crude; thick quantity : 80.7g; yield 88.98percent ; M.P.: 106.1-106.7 °C; maximum shan Za : 0.2percent, a total of 10 small impurity peak, content: 99.25percent.Receiving product: 80.77gYield 89.07percent, M.P.: 106.0-106.8 °CThe maximum shan Za : 0.29percentA total of 9 small impurity peakContent: 99.18percent 3. In accordance with the weight ratio of ethanol: crude = 3:1 use anhydrous ethanol is added in the amount in step 2 the horizontal thick Sydney obtained in recrystallization, to get finished product Cini the horizontal.Yield 91.5percent, M.P.: 107.4-108.2 °CThe maximum shan Za : 0.1460percentThe minimum shan Za : 0.0502percentA total of 2 a small impurity peakContent: 99.8percent(a) 1, 4-Dihydro-2, 6-dimethyl-3-(2-methoxyethoxy)-carbonyl-4-(3-nitrophenyl)-5-(2-phthalimidoethoxy)carbonyl-pyridine Prepared by a method analogous to that of Example 1(a) from 7.0 g (24 mmol) of (b) 270 ml of isopropanol and 64.4 g (0.45 mole) of isopropyl 3-aminocrotonate are added to the
Cilnidipine intermediate.
Computed Properties
Molecular Weight:293.27
XLogP3:1.7
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:293.08993720
Monoisotopic Mass:293.08993720
Topological Polar Surface Area:98.4
Heavy Atom Count:21
Complexity:426
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Recommended Suppliers of 2-Methoxyethyl 2-[(3-nitrophenyl)methylene]-3-oxobutanoate
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2-Methoxyethyl 2-[(3-nitrophenyl)methylene]-3-oxobutanoate
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