1,1-dimethyl-2-isopropylcarbonylaminoethylamine | 58027-59-1

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 1,1-dimethyl-2-isopropylcarbonylaminoethylamine
• 英文别名: 1,1-dimethyl-2-isobutyramidoethylamine；N-(2-Amino-2-methylpropyl)-2-methylpropanamide
• CAS: 58027-59-1
• 化学式: C₈H₁₈N₂O
• 分子量: 158.244
• InChiKey: HFYKSRDJDAYXKM-UHFFFAOYSA-N

物化性质

• 沸点：
  110 °C(Press: 0.1 Torr)
• 密度：
  0.927±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  11
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  55.1
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1,1-dimethyl-2-isopropylcarbonylaminoethylamine 、 2,3-epoxypropyl o-fluorobenzoate 以 N,N-二甲基甲酰胺 为溶剂， 生成 3-[1,1-dimethyl-2-(isopropylcarbonylamino)]ethylamino-2-hydroxypropyl 2-fluorobenzoate
  参考文献：
  名称：

  [(Arylcarbonyl)oxy]propanolamines. 1. Novel .beta.-blockers with ultrashort duration of action

  摘要：

  Novel [(arylcarbonyl)oxy]propanolamines were synthesized and investigated as potential ultrashort-acting beta-adrenergic receptor blockers. Many of these analogues exhibited good potency and short duration. The N-ureidoalkyl analogue 85 (ACC-9089) has a potency equal to propranolol and a duration of action of about 21 min in the dog. It has been selected as a candidate for further clinical study. Structure-activity relationships and structure-duration relationships for these new beta-blockers are also discussed.

  DOI：

  10.1021/jm00374a013
• 作为产物：
  描述：

  1,2-二氨基-2-甲基丙烷 、 异丁酸乙酯 生成 1,1-dimethyl-2-isopropylcarbonylaminoethylamine
  参考文献：
  名称：

  Alkanolamine derivatives

  摘要：

  新型1-芳氧基-3-酰胺基烷基氨基-2-丙醇衍生物，其制备方法，含有它们的药物组合物，以及在治疗心脏疾病中使用它们的方法。这些化合物具有β-肾上腺素受体阻滞活性，其中一些化合物还具有心脏刺激活性。所披露的化合物代表是1-芬氧基-3-β-异丁酰胺乙基氨基-2-丙醇。

  公开号：

  US04010189A1

文献信息

• .beta.-Adrenergic blocking agents. 19. 1-Phenyl-2-[[(substituted-amido)alkyl]amino]ethanols
  作者：M. S. Large、L. H. Smith

  DOI：10.1021/jm00176a002

  日期：1980.2

  series of derivatives of 1-phenyl-2-[[(substituted amido)alkyl]amino]ethanols is described. The compounds were investigated for beta-adrenoceptor blocking properties, and many showed a surprising degree of potency and beta 1-cardioselectivity when tested in vivo in anesthetized cats. The structure-activity relationships shown by this series of compounds are discussed and related to known beta-adrenergic

  描述了1-苯基-2-[[（取代的酰胺基烷基）氨基]氨基]乙醇的一系列衍生物的合成。研究了这些化合物的β-肾上腺素受体阻断特性，当在麻醉的猫体内进行测试时，许多化合物显示出令人惊讶的效力和β1-心脏选择性。讨论了这一系列化合物显示的结构活性关系，并与已知的β-肾上腺素能阻断剂有关。
• Alkanolamine derivatives
  申请人：Imperial Chemical Industries Limited

  公开号：US04010189A1

  公开（公告）日：1977-03-01

  Novel 1-aryloxy-3-amidoalkylamino-2-propanol derivatives, processes for their manufacture, pharmaceutical compositions containing them and methods of using them in the treatment of heart diseases. The compounds possess .beta.-adrenergic blocking activity and some of them additionally possess cardiac stimulant activity. Representative of the compounds disclosed is 1-phenoxy-3-.beta.-isobutyramidoethylamino-2-propanol.

  新型1-芳氧基-3-酰胺基烷基氨基-2-丙醇衍生物，其制备方法，含有它们的药物组合物，以及在治疗心脏疾病中使用它们的方法。这些化合物具有β-肾上腺素受体阻滞活性，其中一些化合物还具有心脏刺激活性。所披露的化合物代表是1-芬氧基-3-β-异丁酰胺乙基氨基-2-丙醇。
• Acyloxypropanolamines
  申请人：THE DU PONT MERCK PHARMACEUTICAL COMPANY

  公开号：EP0373593A2

  公开（公告）日：1990-06-20

  Compounds of the present invention, are represented by the general formula wherein R represents a straight or branched loweralkyl from 1 to about 6 carbon atoms, loweralkene from 2 to about 6 carbon atoms, or where m is o or 1 and n is 2, 3, 4 or 5 provided that when m is o, n is 2, 3, 4, or 5 and when m is 1, n is 3 or 4, and R1 is hydrogen, a straight, branched or cyclic loweralkyl from 1 to about 6 carbon atoms or loweralkoxy, phenyl or substituted phenyl, and R2 represents a straight or branched loweralkyl from 1 to about 6 carbon atoms or W-B wherein W represents alkylene of from 1 to about 10 carbon atoms which may be substituted with loweralkyl of from 1 to about 4 carbon atoms; and B represents hydrogen, -NHCOR4, or -NHCONR3R4, wherein R3 and R4 may be the same or different and may be hydrogen, alkyl, alkoxyalkyl, cycloalkyl, alkenyl, alkynyl, phenyl or aralkyl wherein the alkyl group contains from 1 to about 6 carbon atoms and the aryl group represents phenyl which may be unsubstituted or substituted with lower alkyl from 1 to about 6 carbon atoms, alkoxy wherein the alkyl group contains from 1 to about 6 carbon atoms, halogen, acetamido, amino, hydroxy, hydroxyalkyl of from 1 to about 10 carbon atoms; thiophenyl, imidazole, oxazole or indole, furanyl, tetrahydrofuranyl or R3 and R4 may together with N form a pyrrolidino, piperidino, piperazino, or morpholino ring, or a pharmaceutically acceptable salt thereof. The compounds are useful in the treatment or prophylaxis of cardiac disorder or in the treatment of glaucoma.

  本发明的化合物由通式表示 其中 R 代表 1 至约 6 个碳原子的直链或支链低级烷基，2 至约 6 个碳原子的低级烯，或 其中 m 为 o 或 1，n 为 2、3、4 或 5，条件是当 m 为 o 时，n 为 2、3、4 或 5，当 m 为 1 时，n 为 3 或 4，R1 为氢、1 至约 6 个碳原子的直链、支链或环链低级烷基或低级烷氧基、苯基或取代苯基，R2 代表 1 至约 6 个碳原子的直链或支链低级烷基或 W-B，其中 W 代表 1 至约 10 个碳原子的亚烷基，可被 1 至约 4 个碳原子的低级烷基取代；B 代表氢、-NHCOR4 或 -NHCONR3R4，其中 R3 和 R4 可以相同或不同，可以是氢、烷基、烷氧基烷基、环烷基、烯基、炔基、苯基或芳烷基，其中 R3 和 R4 可以相同或不同，可以是氢、烷基、烷氧基烷基、环烷基、烯基、炔基、苯基或芳烷基、苯基或芳烷基，其中烷基含有 1 至约 6 个碳原子，芳烷基代表苯基，可为未取代或被 1 至约 6 个碳原子的低级烷基、烷氧基（其中烷基含有 1 至约 6 个碳原子）、卤素、乙酰胺基、氨基、羟基、1 至约 10 个碳原子的羟烷基取代；噻吩基、咪唑基、噁唑基或吲哚基、呋喃基、四氢呋喃基或 R3 和 R4 可与 N 一起形成吡咯烷基、哌啶基、哌嗪基或吗啉基环，或其药学上可接受的盐。这些化合物可用于治疗或预防心脏疾病或治疗青光眼。
• .beta.-Adrenergic blocking agents. 23. 1-(Substituted-amido)phenoxy-3-[[(substituted-amido)alkyl]amino]propan-2-ols
  作者：M. S. Large、L. H. Smith

  DOI：10.1021/jm00357a008

  日期：1983.3

  The synthesis of a series of 1-phenoxy-3-[(amidoalkyl)amino]propan-2-ols, in which the phenoxy ring is variously substituted with ortho and para amidic moieties, is described. Several of the compounds have beta-blocking potency comparable to that of propranolol and cardioselectivity similar to that of practolol, when given intravenously to anesthetized cats. In contrast to previous findings with cardioselective beta blockers, both ortho and para substitution give variable degrees of cardioselectivity. Potency, however, is favored by ortho substitution.
• FR2233991
  申请人：——

  公开号：——

  公开（公告）日：——