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化合物简介
Diethyl 2-Acetamidomalonate, is a versatile building block used for the synthesis of various pharmaceutical and biologically active compounds. It is an intermediate for the preparation of Novobiocin analogues as potential heat shock protein 90 inhibitors.
基本信息
CAS:1068-90-2
中文别名:乙酰氨基丙二酸乙酯;ALPHA-乙酰氨基丙二酸二乙酯;二乙基乙酰胺与米酸酯;二乙基乙酰氨基丙二酸酯;(瑞巴匹特中间体);
英文别名:DIETHYL (ACETYLAMINO)MALONATE;DIETHYL ACEAMIDOMALONATE;DIETHYLACETAMIDO MALONATE;Diethyl2-acetamidomalonate;2-ACETYLAMINO-MALONIC ACID DIETHYL ESTER AA-DEM ACETAMIDO DIETHYL MALONATE ACETAMIDOMALONIC ACID DIETHYL ESTER;DIETHYL ACETAMIDO MALONATE;Diethyl 2-acetamidomalonate;Polyacrylic resin Ⅲ;Acetaminomalonic acid diethyl ester;ACETAMINOPROPANDIOIC ACID DIETHYL ESTER;Acetaminomalonic Acid Diethyl Ester;DIETHYL ACETAMIDOMALONATE FOR SYNTHESIS;2-ACETYLAMINOMALONIC ACID DIETHYL ESTER;ALPHA-ACETAMIO MALONIC ACID DIETHYL ESTER;(S)-3-(1-amino-2,2,2-trifluoroethyl)aniline hydrochloride;2-((4-CHLOROPHENYL)SULFONYL)-3-((4-(TRIFLUOROMETHYL)(2-PYRIDYL));Diethyl Acetamidomalonate;2-ACETYLAMINO-MALONIC ACID DIETHYL ESTER;Ethyl Acetamidomalonate;Diethylacetamidomalonate;DIETHYL ACETAMINOMALONATE;Acetamidomalonic Acid Diethyl Ester;diethyl 2-acetamidopropanedioate;PROPANEDIOICACID,(ACETYLAMINO)-,DIETHYLESTER;ACETAMIDO DIETHYL MALONATE;Propanedioic acid, (acetylamino)-, diethyl ester;
分子式:C9H15NO5
分子量:217.219
精确质量:217.095
Psa:81.7
Logp:0.0082
中文别名:乙酰氨基丙二酸乙酯;ALPHA-乙酰氨基丙二酸二乙酯;二乙基乙酰胺与米酸酯;二乙基乙酰氨基丙二酸酯;(瑞巴匹特中间体);
英文别名:DIETHYL (ACETYLAMINO)MALONATE;DIETHYL ACEAMIDOMALONATE;DIETHYLACETAMIDO MALONATE;Diethyl2-acetamidomalonate;2-ACETYLAMINO-MALONIC ACID DIETHYL ESTER AA-DEM ACETAMIDO DIETHYL MALONATE ACETAMIDOMALONIC ACID DIETHYL ESTER;DIETHYL ACETAMIDO MALONATE;Diethyl 2-acetamidomalonate;Polyacrylic resin Ⅲ;Acetaminomalonic acid diethyl ester;ACETAMINOPROPANDIOIC ACID DIETHYL ESTER;Acetaminomalonic Acid Diethyl Ester;DIETHYL ACETAMIDOMALONATE FOR SYNTHESIS;2-ACETYLAMINOMALONIC ACID DIETHYL ESTER;ALPHA-ACETAMIO MALONIC ACID DIETHYL ESTER;(S)-3-(1-amino-2,2,2-trifluoroethyl)aniline hydrochloride;2-((4-CHLOROPHENYL)SULFONYL)-3-((4-(TRIFLUOROMETHYL)(2-PYRIDYL));Diethyl Acetamidomalonate;2-ACETYLAMINO-MALONIC ACID DIETHYL ESTER;Ethyl Acetamidomalonate;Diethylacetamidomalonate;DIETHYL ACETAMINOMALONATE;Acetamidomalonic Acid Diethyl Ester;diethyl 2-acetamidopropanedioate;PROPANEDIOICACID,(ACETYLAMINO)-,DIETHYLESTER;ACETAMIDO DIETHYL MALONATE;Propanedioic acid, (acetylamino)-, diethyl ester;
分子式:C9H15NO5
分子量:217.219
精确质量:217.095
Psa:81.7
Logp:0.0082
编号系统
EINECS号:213-952-9
BRN号:783883
RTECS号:OO0360000
PubChem号:24862040
MDL号:MFCD00009146
BRN号:783883
RTECS号:OO0360000
PubChem号:24862040
MDL号:MFCD00009146
物化性质
外观与性状:白色结晶粉末
密度:1.141 g/cm3
沸点:185°C20mm Hg(lit.)
熔点:95-98°C(lit.)
闪点:185°C/20mm
折射率:1.447
稳定性:Stable under normal temperatures and pressures.
储存条件:库房通风低温干燥
蒸汽压:0.000565mmHg at 25°C
密度:1.141 g/cm3
沸点:185°C20mm Hg(lit.)
熔点:95-98°C(lit.)
闪点:185°C/20mm
折射率:1.447
稳定性:Stable under normal temperatures and pressures.
储存条件:库房通风低温干燥
蒸汽压:0.000565mmHg at 25°C
安全信息
RTECS号:OO0360000
安全说明:S39
WGK Germany:3
危险类别码:R36
海关编码:2924199090
危险品标志:Xi
安全说明:S39
WGK Germany:3
危险类别码:R36
海关编码:2924199090
危险品标志:Xi
生产方法及用途
用途
用于α-氨基酸的合成,如作为色氨酸和消痛芥等的中间体。烷基化反应是合成氨基酸的关键反应之
用于α-氨基酸的合成,如作为色氨酸和消痛芥等的中间体。烷基化反应是合成氨基酸的关键反应之
合成路线
上游原料
下游产品
图谱
Predict 1H proton NMR

13C NMR : Predict

1H NMR : Predict

13C NMR : in CDCl3

1H NMR : 90 MHz in CDCl3

1H NMR : 400 MHz in CDCl3

Mass spectrum (electron ionization)

Mass

Raman : 4880 A,200 M,powder

IR : KBr disc

IR : nujol mull
