Benzeneacetic acid, α-[(3-ethoxy-1-methyl-3-oxo-1-propen-1-yl)amino]-, potassium salt (1:1), (αR)-
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![Benzeneacetic acid, α-[(3-ethoxy-1-methyl-3-oxo-1-propen-1-yl)amino]-, potassium salt (1:1), (αR)- structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/9092abf7f79845588a559f0922dcb567.png "Benzeneacetic acid, α-[(3-ethoxy-1-methyl-3-oxo-1-propen-1-yl)amino]-, potassium salt (1:1), (αR)-")
Benzeneacetic acid, α-[(3-ethoxy-1-methyl-3-oxo-1-propen-1-yl)amino]-, potassium salt (1:1), (αR)-
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CAS No:
961-69-3
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Formula:
C14H17NO4.K
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Chemical Name:
Benzeneacetic acid, α-[(3-ethoxy-1-methyl-3-oxo-1-propen-1-yl)amino]-, potassium salt (1:1), (αR)-
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Synonyms:
Benzeneacetic acid,α-[(3-ethoxy-1-methyl-3-oxo-1-propen-1-yl)amino]-,potassium salt (1:1),(αR)-;Crotonic acid,3-[(α-carboxybenzyl)amino]-,1-ethyl ester,monopotassium salt,D-(-)-;Benzeneacetic acid,α-[(3-ethoxy-1-methyl-3-oxo-1-propenyl)amino]-,monopotassium salt,(R)-;Benzeneacetic acid,α-[(3-ethoxy-1-methyl-3-oxo-1-propenyl)amino]-,monopotassium salt,(αR)-;Potassium D-(1-ethoxycarbonylpropen-2-yl)-α-aminophenylacetate
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CAS No:
Benzeneacetic acid, α-[(3-ethoxy-1-methyl-3-oxo-1-propen-1-yl)amino]-, potassium salt (1:1), (αR)- Basic Attributes
301.38
301.071625
213-510-5
2922509090
Characteristics
78.46000
0.92500
white to off white crystalline powder
229-233 °C (decomp)
429.4ºC at 760mmHg
213.5ºC
-78 º (c=1,1N HCl)
Safety Information
3
|Warning|H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]|P264, P280, P305+P351+P338, and P337+P313|Aggregated GHS information provided by 15 companies from 1 notifications to the ECHA C&L Inventory.
Benzeneacetic acid, α-[(3-ethoxy-1-methyl-3-oxo-1-propen-1-yl)amino]-, potassium salt (1:1), (αR)- Use and Manufacturing
The product is prepared by taking L-phenylglycine, potassium hydroxide and ethyl acetoacetate as raw materials, through salt formation and condensation.
Used in the manufacture of ampicillin, oxygen piperazine penicillin, cephalexin and cefalexin
Benzeneacetic acid, .alpha.-[(3-ethoxy-1-methyl-3-oxo-1-propen-1-yl)amino]-, potassium salt (1:1), (.alpha.R)-: INACTIVE
Computed Properties
Molecular Weight:301.38
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:7
Exact Mass:301.07163948
Monoisotopic Mass:301.07163948
Topological Polar Surface Area:78.5
Heavy Atom Count:20
Complexity:351
Defined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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Benzeneacetic acid, α-[(3-ethoxy-1-methyl-3-oxo-1-propen-1-yl)amino]-, potassium salt (1:1), (αR)-
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