3-(dimethylamino)-2-(3,4-dimethoxyphenyl)prop-2-en-1-al | 85907-71-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3-(dimethylamino)-2-(3,4-dimethoxyphenyl)prop-2-en-1-al
• 英文别名: 3-Dimethylamino-2-(3,4-dimethoxyphenyl)acrylaldehyde；2-(3,4-dimethoxyphenyl)-3-dimethylamino-2-propenal；2-(3,4-Dimethoxyphenyl)-3-(dimethylamino)acrolein；(Z)-2-(3,4-dimethoxyphenyl)-3-(dimethylamino)prop-2-enal
• CAS: 85907-71-7
• 化学式: C₁₃H₁₇NO₃
• 分子量: 235.283
• InChiKey: PEUBLRZCVLVRLD-DHZHZOJOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  17
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  38.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-(dimethylamino)-2-(3,4-dimethoxyphenyl)prop-2-en-1-al 在 敌草腈 、 sodium ethanolate 、 对甲苯磺酸 作用下， 以 四氢呋喃 、 甲醇 、 水 为溶剂， 反应 24.0h， 生成 4-(carbomethoxymethyl)-4-(3,4-dimethoxyphenyl)cyclohex-2-en-1-one
  参考文献：
  名称：

  通过甲氧基（苯硫基）甲基锂合成多官能γ-酮酯衍生物的简捷合成路线

  摘要：

  通过甲氧基苯基硫代甲基锂与3-烷氧基烯酮的反应获得的α，β-不饱和O，S-缩醛可以通过有效的烷基化-水解顺序轻易地转化为结构上不同的γ-酮酸酯。

  DOI：

  10.1039/c39860000075

文献信息

• 3-Amino-5-(hydroxy- and/or
  申请人：Sterling Drug Inc.

  公开号：US04515797A1

  公开（公告）日：1985-05-07

  1-R.sub.1 -3-amino-5-(3-R'-4-R"-phenyl)-6-R-2(1H)-pyridinones or salts thereof, which are useful as cardiotonics, where R.sub.1 is hydrogen, lower-alkyl, or lower-hydroxyalkyl, R is hydrogen or lower-alkyl, and, R' and R" are each hydrogen, hydroxy or amino at least one of R' or R" being other than hydrogen, are prepared by reacting the corresponding 3-carbamyl compound with a reagent capable of converting carbamyl to amino or by first reacting the corresponding 3-carbamyl compound where R' and R" are each hydrogen, nitro or lower-alkoxy at least one of R' and R" being other than hydrogen with a reagent capable of converting carbamyl to amino and then reacting the resulting 3-amino compound where R' and/or R" are/is lower-alkoxy and/or nitro with a reagent capable of converting lower-alkoxy to hydroxy and/or with a reagent capable of converting nitro to amino. Preparation of the corresponding 3-carbamyl and 3-cyano compounds is shown, the latter including cardiotonically active novel 1-R.sub.1 -1,2-dihydro-5-(3-R.sub.2 -4-R.sub.3 -phenyl)-6-R-nicotinonitriles where R.sub.1 and R are defined as above, and R.sub.2 and R.sub.3 have the above given definitions for R' and R" or where R.sub.2 is nitro and R.sub.3 is hydroxy. Also shown are cardiotonic compositions and cardiotonic method of use of above-said compounds.

  1-R.sub.1 -3-氨基-5-(3-R'-4-R"-苯基)-6-R-2(1H)-吡啶酮或其盐，可用作心脏强心剂，其中R.sub.1是氢、低烷基或低羟基烷基，R是氢或低烷基，R'和R"分别是氢、羟基或氨基，其中R'或R"至少有一个不是氢，通过将相应的3-氨基甲酰化合物与能够将氨基甲酰转化为氨基的试剂反应制备，或者首先将R'和R"分别是氢、硝基或低烷氧基，其中R'和R"中至少有一个不是氢的相应的3-氨基甲酰化合物与能够将氨基甲酰转化为氨基的试剂反应，然后将所得的3-氨基化合物与能够将低烷氧基转化为羟基和/或能够将硝基转化为氨基的试剂反应，其中R'和/或R"是低烷氧基和/或硝基。显示了相应的3-氨基甲酰和3-氰基化合物的制备，后者包括具有心脏强心活性的新颖的1-R.sub.1 -1,2-二氢-5-(3-R.sub.2 -4-R.sub.3 -苯基)-6-R-烟酰腈，其中R.sub.1和R如上所定义，R.sub.2和R.sub.3具有上述给定的R'和R"的定义，或者其中R.sub.2是硝基，R.sub.3是羟基。还显示了心脏强心剂组合物和上述化合物的心脏强心方法的用途。
• 3-Amino-5-(substituted)-2 (1H) pyridinones and 3-cyano compounds useful as cardiotonics and preparation thereof
  申请人：STERLING DRUG INC.

  公开号：EP0061774A2

  公开（公告）日：1982-10-06

  1-R1-3-amino-5-(3-R'-4-R"-phenyl)-6-R-2(1H)-pyridi- nones or salts thereof, which are useful as cardiotonics, where R, is hydrogen, lower-alkyl, or lower-hydroxyalkyl, R is hydrogen or lower-alkyl, and, R' and R" are each hydrogen, hydroxy or amino at least one of R' or R" being other than hydrogen, are prepared by reacting the corresponding 3-carbamyl compound with a reagent capable of converting carbamyl to amino or by first reacting the corresponding 3-carbamyl compound where R' and R" are each hydrogen, nitro or lower-alkoxy with a reagent capable of converting carbamyl to amino and then reacting the resulting 3-amino compound where R' and/or R" are/is lower-alkoxy and/or nitro with a reagent capable of converting lower-alkoxy to hydroxy and/or with a reagent capable of converting nitro to amino. Preparation of the corresponding 3-carbamyl and 3-cyano compounds are described. The invention also concerns the 3- and/or 4-methoxy intermediates and certain novel 3-cyano analogs. Cyano compounds are also useful as cardiotonics.

  1-R1-3-氨基-5-(3-R'-4-R"-苯基)-6-R-2(1H)-吡啶-壬烷或其盐，可用作强心剂，其中 R 是氢、低级烷基或低级羟基烷基，R 是氢或低级烷基，R'和 R "各自是氢、羟基或氨基，R'或 R "中至少有一个不是氢、将相应的 3-氨基甲酰基化合物与能将氨基甲酰基转化为氨基的试剂反应，或先将 R' 和 R "均为氢、硝基或低级烷氧基的相应 3-氨基甲酰基化合物与能将氨基甲酰基转化为氨基的试剂反应，然后将所得 R' 和/或 R "为/或低级烷氧基和/或硝基的 3-氨基化合物与能将低级烷氧基转化为羟基的试剂和/或能将硝基转化为氨基的试剂反应，制备 3-氨基甲酰基化合物。本发明描述了相应的 3-氨基甲酰基和 3-氰基化合物的制备方法。本发明还涉及 3-和/或 4-甲氧基中间体和某些新型 3-氰基类似物。氰基化合物还可用作强心剂。
• [Methoxy(phenylthio)methyl]lithium and [methoxy(phenylthio)(trimethylsilyl)methyl]lithium. Two exceedingly convenient reagents for the facile conversion of aldehydes, ketones, and 3-alkoxy enones into ketene O,S-acetal derivatives
  作者：Steven Hackett、Tom Livinghouse

  DOI：10.1021/jo00356a025

  日期：1986.3
• An efficient formal synthesis of d,l-mesembrine via a .beta.-(methoxy(phenylthio)methylidene) enolate Robinson annulation sequence
  作者：Steven Hackett、Tom Livinghouse

  DOI：10.1021/jo00359a057

  日期：1986.5
• COPPOLA G. M.; FRASER J. D.; HARDTMANN G. E.; HUEGI B. S.; KATHAWALA F. G+, J. HETEROCYCL. CHEM., 1979, 16, NO 3, 545-554
  作者：COPPOLA G. M.、 FRASER J. D.、 HARDTMANN G. E.、 HUEGI B. S.、 KATHAWALA F. G+

  DOI：——

  日期：——