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Chemical Structure| 39562-22-6 Chemical Structure| 39562-22-6

Structure of 39562-22-6

Chemical Structure| 39562-22-6

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Product Details of [ 39562-22-6 ]

CAS No. :39562-22-6
Formula : C14H15NO6
M.W : 293.27
SMILES Code : CC(/C(C(OCCOC)=O)=C\C1=CC=CC([N+]([O-])=O)=C1)=O
MDL No. :MFCD00521048
InChI Key :UVZJPCAZMGLNTB-UKTHLTGXSA-N
Pubchem ID :2063485

Safety of [ 39562-22-6 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H335
Precautionary Statements:P261-P305+P351+P338

Application In Synthesis of [ 39562-22-6 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 39562-22-6 ]

[ 39562-22-6 ] Synthesis Path-Downstream   1~15

  • 1
  • [ 40100-28-5 ]
  • [ 39562-22-6 ]
  • [ 66085-59-4 ]
  • 3
  • [ 75229-65-1 ]
  • [ 39562-22-6 ]
  • [ 86387-28-2 ]
  • 4
  • [ 74470-89-6 ]
  • [ 39562-22-6 ]
  • [ 74471-05-9 ]
  • 5
  • [ 39562-22-6 ]
  • [ 193539-61-6 ]
  • [ 75130-29-9 ]
  • 6
  • [ 39562-22-6 ]
  • 1-benzhydrylazetidin-3-yl 3-amino-3-iminopropanoate acetate [ No CAS ]
  • 3-(1-Benzhydryl-3-azetidinyl) 5-(2-methoxyethyl) 2-amino-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate [ No CAS ]
  • 7
  • [ 39562-22-6 ]
  • 3-(1-benzylpiperidin-3-yl)amidinoacetate acetic acid salt [ No CAS ]
  • 2-Amino-6-methyl-4-(3-nitro-phenyl)-1,4-dihydro-pyridine-3,5-dicarboxylic acid 3-(1-benzyl-piperidin-3-yl) ester 5-(2-methoxy-ethyl) ester [ No CAS ]
  • 8
  • [ 39562-22-6 ]
  • [ 74936-76-8 ]
  • 9
  • [ 39562-22-6 ]
  • 2-Methoxyethyl 2-nitro-oxyethyl 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-pyridine-3,5-dicarboxylate [ No CAS ]
  • 10
  • [ 22502-03-0 ]
  • [ 99-61-6 ]
  • [ 100-09-4 ]
  • [ 39562-22-6 ]
YieldReaction ConditionsOperation in experiment
91% With dimethyl amine; In ethanol; isopropyl alcohol; a) 200 kg of 2-methoxyethyl acetoacetate and 185.1 kg of 3-nitrobenzaldehyde are suspended in 800 l of isopropanol. Then 5.65 kg of p-anisic acid and 5.05 kg of 33percent dimethylamine in ethanol are added, heating for about 30' at about 35° C. to obtain a solution. The reaction mixture is left to cool at 20/25° C. and then it is cooled for about 12 hours with running water and for a further 24 hours at about 0° C. with brine, then is centrifuged, washing with isopropanol. After drying, 327 kg of 2-methoxyethyl 2-(3-nitrobenzylidene) acetoacetate are obtained, in an about 91percent yield.
YieldReaction ConditionsOperation in experiment
(b) 270 ml of isopropanol and 64.4 g (0.45 mole) of isopropyl 3-aminocrotonate are added to the 2-methoxyethyl 2-(3'-nitrobenzylidene)acetoacetate which has been prepared according to (a) and is moist with isopropanol. The mixture is heated to reflux (83° C.) and kept at this temperature for 24 hours. After cooling to 0° C., the resulting crystals are isolated, washed with 86 ml of isopropanol and sucked dry. 173.2 g of 3-isopropyl, 5-(2-methoxy)-ethyl 1,4-dihydro-2,6-dimethyl-4-(3'-nitrophenyl)-3,5-pyridine dicarboxylate of melting point 122°-127° C. (92percent of theory) are obtained. Thin-layer chromatography on Merck silica gel ready-coated plates (mobile phase: chloroform:acetone:petroleum ether=3:2:5) shows no visible by-products.
  • 12
  • [ 113607-14-0 ]
  • [ 39562-22-6 ]
  • [ 113607-28-6 ]
YieldReaction ConditionsOperation in experiment
In ethanol; (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 <strong>[39562-22-6]2-(3-nitrobenzylidene)-acetoacetic acid-(2-methoxyethyl)ester</strong> and 6.55 g (24 mmol) of 3-aminocrotonic acid-(2-phthalimidoethyl)ester in ethanol. 11.08 g (84percent) of pale yellow crystals, melting point 182°-184° C. C28 H27 N3 O9 (549.54). Rf (CH2 Cl2 /CH3 OH 95:5): 0.48.
  • 13
  • [ 39562-22-6 ]
  • 2-methoxyethyl 2-acetamido-4-methyl-6-(3-nitrophenyl)-6H-1,3-thiazine-5-carboxylate [ No CAS ]
  • 14
  • [ 39562-22-6 ]
  • [ 17356-08-0 ]
  • 2-methoxyethyl 2-amino-4-methyl-6-(3-nitrophenyl)-6H-1,3-thiazine-5-carboxylate [ No CAS ]
  • 15
  • 3-amino-2-butenoic acid cinnamyl ester [ No CAS ]
  • [ 39562-22-6 ]
  • [ 132203-70-4 ]
YieldReaction ConditionsOperation in experiment
91.5% 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
 

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