摩熵化学
数据库官网
小程序
打开微信扫一扫
首页 分子通 化学资讯 化学百科 反应查询 关于我们
请输入关键词

ethyl 3-isovaleramido-2-oxobutyrate | 68281-73-2

中文名称
——
中文别名
——
英文名称
ethyl 3-isovaleramido-2-oxobutyrate
英文别名
Ethyl-3-isovaleramido-2-oxo-butyrate;Ethyl-3-isovaleramido-2-oxobutyrate;ethyl 3-(3-methylbutanoylamino)-2-oxobutanoate
ethyl 3-isovaleramido-2-oxobutyrate化学式
CAS
68281-73-2
化学式
C11H19NO4
mdl
——
分子量
229.276
InChiKey
RHPYIIWDUCQHHE-UHFFFAOYSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

计算性质

  • 辛醇/水分配系数(LogP):
    1.4
  • 重原子数:
    16
  • 可旋转键数:
    7
  • 环数:
    0.0
  • sp3杂化的碳原子比例:
    0.73
  • 拓扑面积:
    72.5
  • 氢给体数:
    1
  • 氢受体数:
    4

反应信息

点击查看最新优质反应信息

文献信息

  • Pharmacologically active compounds
    申请人:Allen & Hanburys Limited
    公开号:US04278673A1
    公开(公告)日:1981-07-14
    There are provided compounds of the general formula (I): ##STR1## and physiologically acceptable salts thereof in which Z represents a group ##STR2## wherein R.sub.2 represents a hydrogen atom or a straight or branched chain alkyl radical, or Z can additionally represent a group ##STR3## and R.sub.1, R.sub.3 and R.sub.4, which may be the same or different, each represent a hydrogen atom, a cycloalkyl group, an aryl group which may optionally be substituted by one or more hydroxy, alkoxy, or halogen radicals, or a straight or branched alkyl or alkenyl group, which alkyl or alkenyl group may be substituted with an aryl group, which aryl group may optionally be substituted by one or more hydroxy, alkoxy or halogen radicals. The compounds possess spasmolytic and cAMP phosphodiesterase inhibitory activity.
    提供了一般式(I)的化合物及其生理上可接受的盐:其中Z代表一个基团,其中R.sub.2代表氢原子或直链或支链烷基基团,或Z还可以代表一个基团,R.sub.1、R.sub.3和R.sub.4,它们可能相同也可能不同,每个代表氢原子、环烷基基团、芳基基团,该芳基基团可以选择性地被一个或多个羟基、烷氧基或卤素基团取代,或者直链或支链烷基或烯基基团,该烷基或烯基基团可以被一个芳基基团取代,该芳基基团可以选择性地被一个或多个羟基、烷氧基或卤素基团取代。这些化合物具有痉挛解痉和cAMP磷酸二酯酶抑制活性。
  • Production of triazinones
    申请人:Glaxo Group Limited
    公开号:US04308384A1
    公开(公告)日:1981-12-29
    Compounds of the formula (I) ##STR1## (in which X represents HS-- or a group R.sub.1 R.sub.2 N-- wherein R.sub.1 and R.sub.2 which may be the same or different represent hydrogen or a straight or branched chain alkyl group containing from 1 to 4 carbon atoms or a benzyl group and R.sub.3 represents a C.sub.3-7 alkyl group or a C.sub.3-7 cycloalkyl group) are prepared by reacting an .alpha.-ketoester of the formula (II) ##STR2## (in which Alk represents an alkyl group) or a precursor thereof with a compound of the formula (III) ##STR3## The precursor of the compound of formula (II) may be a mixture of isomeric enol esters ##STR4## The compounds of formula (I) may be converted into compounds of formula VIII ##STR5## in which R.sub.1 and R.sub.2 which may be the same or different represent hydrogen or a straight or branched chain alkyl group containing from 1 to 4 carbon atoms, and R.sub.3 is as defined above.
    化合物的公式为(I) ##STR1## 其中X代表HS--或R.sub.1 R.sub.2 N--基团,其中R.sub.1和R.sub.2可以相同或不同,代表氢或1至4个碳原子的直链或支链烷基或苄基,而R.sub.3代表C.sub.3-7烷基或C.sub.3-7环烷基。这些化合物可以通过将公式(II) ##STR2##(其中Alk代表烷基)的α-酮酯或其前体与公式(III) ##STR3##的化合物反应而制备得到。化合物公式(II)的前体可以是异构的烯醇酯混合物 ##STR4##。公式(I)的化合物可以转化为公式VIII的化合物 ##STR5## 其中R.sub.1和R.sub.2可以相同或不同,代表氢或1至4个碳原子的直链或支链烷基,而R.sub.3如上所定义。
  • Processes for the preparation of triazinones and condensed triazinones, and compounds so obtained
    申请人:GLAXO GROUP LIMITED
    公开号:EP0009384A1
    公开(公告)日:1980-04-02
    Compounds of the formula (I) (in which X represents HS- or a group R,R2N- wherein R, and R2 which may be the same or different represent hydrogen or a straight or branched chain alkyl group containing from 1 to 4 carbon atoms or a benzyl group and R3 represents a C3-2 alkyl group or a C3-2 cycloalkyl group) are prepared by reacting an α-ketoester of the formula (II) (in which Alk represents an alkyl group) or a precursor thereof with a compound of the formula (III) The precursor of the compound of formula (II) may be a mixture of isomeric enol esters The compounds of formula (I) may be converted into compounds of formula (VIII) in which R, and R2 which may be the same or different represent hydrogen or a straight or branched chain alkyl group containing from 1 to 4 carbon atoms, and R3 is as defined above.
    式(I)化合物 式(I)化合物(其中 X 代表 HS- 或基团 R,R2N-,其中 R 和 R2 可以相同或不同,代表氢或含有 1 至 4 个碳原子的直链或支链烷基或苄基,R3 代表 C3-2 烷基或 C3-2 环烷基)是由式(II)的 α-酮酯 (其中 Alk 代表烷基)或其前体与式(III)的化合物反应制备的。 (其中 Alk 代表烷基)或其前体与式(III)化合物反应制备而成 式(II)化合物的前体可以是异构烯醇酯的混合物 式(I)化合物可转化为式(VIII)化合物 其中 R 和 R2 可以相同或不同,代表氢或含有 1 至 4 个碳原子的直链或支链烷基,R3 如上定义。
  • CHARLES I.; LATHAM D. W. S.; HARTLEY D.; OXFORD A. W.; SCOPES D. I. C., J. CHEM. SOC. PERKIN TRANS., PART 1, 1980, NO 5, 1139-1146
    作者:CHARLES I.、 LATHAM D. W. S.、 HARTLEY D.、 OXFORD A. W.、 SCOPES D. I. C.
    DOI:——
    日期:——
  • US4308384A
    申请人:——
    公开号:US4308384A
    公开(公告)日:1981-12-29
查看更多