2-(3-硝基苯亚甲基)-3-氧代丁酸(2-甲氧基乙基)酯

2-(3-硝基苯亚甲基)-3-氧代丁酸(2-甲氧基乙基)酯 - Names and Identifiers

Name	2-methoxyethyl 2-[(3-nitrophenyl)methylene]acetoacetate
Synonyms	SALOR-INT L133884-1EA methoxyethyl 3-nitrobenzylidenacetoacetate 2-METHOXYETHYL 2-(3-NITROBENZYLIDENE)ACETOACETATE 2-Methoxyethyl-2-(3-nitrobenzylidene)acetoacetate 2-methoxyethyl 2-[(3-nitrophenyl)methylene]acetoacetate 2-methoxyethyl (2E)-2-(3-nitrobenzylidene)-3-oxobutanoate 2-Acetyl-3-(3-nitrophenyl)acrylic acid 2-methoxyethyl ester 2-methoxyethyl 2-[(3-nitrophenyl)methylidene]-3-oxobutanoate Butanoic acid, 2-[(3-nitrophenyl)Methylene]-3-oxo-, 2-Methoxyeth 2-[(3-Nitrophenyl)methylene]-3-oxobutanoic acid 2-methoxyethyl ester Butanoicacid,2-[(3-nitrophenyl)Methylene]-3-oxo-,2-Methoxyethylester
CAS	39562-22-6
EINECS	254-511-0
InChI	InChI=1/C14H15NO6/c1-10(16)13(14(17)21-7-6-20-2)9-11-4-3-5-12(8-11)15(18)19/h3-5,8-9H,6-7H2,1-2H3

2-(3-硝基苯亚甲基)-3-氧代丁酸(2-甲氧基乙基)酯 - Physico-chemical Properties

Molecular Formula	C14H15NO6
Molar Mass	293.27
Density	1.266±0.06 g/cm3(Predicted)
Melting Point	72-74°C
Boling Point	433.4±40.0 °C(Predicted)
Flash Point	182°C
Solubility	DMSO, Methanol
Vapor Presure	1.03E-07mmHg at 25°C
Appearance	Solid
Color	Off-White to Pale Yellow
Storage Condition	Sealed in dry,2-8°C
Refractive Index	1.563

2-(3-硝基苯亚甲基)-3-氧代丁酸(2-甲氧基乙基)酯 - Risk and Safety

Hazard Class

IRRITANT

2-(3-硝基苯亚甲基)-3-氧代丁酸(2-甲氧基乙基)酯 - Reference Information

Uses

3-nitrobenzylideneacetoacetate methoxyethyl ester is a pharmaceutical intermediate that can be used to prepare nimodipine.
Nimodipine is a dihydropyridine calcium channel antagonist. Its function is characterized by its ability to pass through the blood-brain barrier and effectively act on the cerebrovascular. It can treat cerebral infarction, migraine, stroke, arachnoid hemorrhage and Sudden deafness has obvious therapeutic effects, and it also has a great effect on promoting memory enhancement and the treatment of Alzheimer's disease.

Preparation

200kg of methoxyethyl acetoacetate and 185.1kg of 3-nitrobenzaldehyde were suspended in 800l of isopropanol. Then 5.65kg of p-anisic acid and 5.05kg of 33% dimethylamine ethanol solution were added and heated at about 35 ℃ for about 30 minutes to obtain the solution. The reaction mixture is cooled to 20/25°C, then cooled with running water for about 12 hours, and cooled with salt water at about 0°C for another 24 hours, then centrifuged and washed with isopropanol. After drying, 327kg of 3-nitrobenzylideneacetoacetate methoxyethyl ester was obtained in a yield of about 91%.

Last Update：2024-04-09 15:16:50