2-Phenyl-3-isopropyl-5-(hydroxymethyl)-oxazolidine | 54126-58-8

• 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: 2-Phenyl-3-isopropyl-5-(hydroxymethyl)-oxazolidine
• 英文别名: 2-Phenyl-3-isopropyl-5-hydroxymethyloxazolindine；2-Phenyl-3-isopropyl-5-hydroxymethyloxazolidine；2-Phenyl-3-isopropyl-5-oxymethyloxazolidine；3-isopropyl-2-phenyl-5-hydroxymethyloxazolidine；(3-isopropyl-2-phenyl-oxazolidin-5-yl)-methanol；2-phenyl-3-isopropyl-5-(hydroxymethyl)oxazolidine；(2-phenyl-3-propan-2-yl-1,3-oxazolidin-5-yl)methanol
• CAS: 54126-58-8
• 化学式: C₁₃H₁₉NO₂
• 分子量: 221.299
• InChiKey: HNOAXSVPMXZKBT-UHFFFAOYSA-N

物化性质

• 沸点：
  312.9±37.0 °C(Predicted)
• 密度：
  1.075±0.06 g/cm3(Predicted)
• 溶解度：
  易溶于可溶于氯仿、甲醇

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  32.7
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-Phenyl-3-isopropyl-5-(hydroxymethyl)-oxazolidine 在 二苯并-18-冠醚-6 盐酸 、 氢氧化钾 作用下， 以 甲苯 为溶剂， 生成 2-(3'-Isopropylamino-2'-hydroxyisopropoxy)-3-cyano-4-(α-methyl-β-phenylethylamino)pyridine dihydrochloride
  参考文献：
  名称：

  Azaindoles. LXVIII. 7-azaindoles as β-adrenoblocking agents

  摘要：

  DOI：

  10.1007/bf00758561
• 作为产物：
  描述：

  3-异丙氨基-1,2-丙二醇 生成 2-Phenyl-3-isopropyl-5-(hydroxymethyl)-oxazolidine
  参考文献：
  名称：

  BALDWIN, J. J.;DENNY, G. H.;HIRSCHMANN, R.;FREEDMAN, M. B.;PONTICELLO, G.+, J. MED. CHEM., 1983, 26, N 7, 950-957

  摘要：

  DOI：

文献信息

• 2-(3-Amino-2-hydroxy-propoxy)-pyrazines
  申请人：Ciba-Geigy Corporation

  公开号：US04115575A1

  公开（公告）日：1978-09-19

  Heterocyclic compounds of the formula ##STR1## wherein Het denotes optionally substituted pyridazinyl, pyrimidinyl, pyrazinyl or substituted pyridyl, R.sub.1 is hydrogen or methyl and R.sub.2 is lower alkyl, optionally substituted phenyl-lower alkyl, carboxy-lower alkyl or functionally modified carboxy-lower alkyl, their condensation products with aldehydes, ketones or carbonic acid and their N-oxides, which are valuable (cardioselective) .beta.-rezeptor blocking agents, and/or (cardioselective) .beta.-rezeptor-stimulants.

  该公式表示的杂环化合物，其中Het表示可选择替代的吡啶啉基、嘧啶基、吡嗪基或取代的吡啶基，R.sub.1是氢或甲基，R.sub.2是较低的烷基，可选择取代的苯基-较低的烷基，羧基-较低的烷基或功能修饰的羧基-较低的烷基，它们与醛、酮或碳酸的缩合产物以及它们的N-氧化物，这些化合物是有价值的（心脏选择性）β-受体阻滞剂和/或（心脏选择性）β-受体激动剂。
• 2-(3-Amino-2-hydroxy-propoxy)-mono-and diazines
  申请人：Ciba-Geigy Corporation

  公开号：US04410530A1

  公开（公告）日：1983-10-18

  Heterocyclic compounds of the formula ##STR1## wherein Het denotes optionally substituted pyridazinyl, pyrimidinyl, pyrazinyl or substituted pyridyl, R.sub.1 is hydrogen or methyl and R.sub.2 is lower alklyl, optionally substituted phenyl-lower alkyl, carboxy-lower alkyl or functionally modified carboxy-lower alkyl, their condensation products with aldehydes, ketones or carbonic acid and their N-oxides, which are valuable (cardioselective) .beta.-receptor blocking agents, and/or (cardioselective) .beta.-receptor-stimulants.

  式为##STR1##的杂环化合物，其中Het表示可选择地取代的吡啶啉基、嘧啶基、吡嗪基或取代的吡啶基，R.sub.1为氢或甲基，R.sub.2为低碳链基、可选择地取代的苯基-低碳链基、羧基-低碳链基或功能性改性的羧基-低碳链基，它们与醛、酮或碳酸的缩合产物以及它们的N-氧化物，是有价值的（心脏选择性的）β-受体阻滞剂和/或（心脏选择性的）β-受体激动剂。
• Isoquinoline compounds
  申请人：Sandoz Ltd.

  公开号：US04073909A1

  公开（公告）日：1978-02-14

  This invention provides new compounds of formula I, ##STR1## wherein R is lower alkyl or cycloalkyl of 3 to 7 carbon atoms; cycloalkyl of 3 to 7 carbon atoms substituted by alkyl of 1 to 4 carbon atoms; .alpha.-dialkylpropinyl or .alpha.-dialkylallyl of 5 to 9 carbon atoms; hydroxyalkyl of 2 to 7 carbon atoms, the hydroxy group thereof being separated by at least two carbon atoms from the nitrogen atom to which R is bound; phenethyl; phenethyl substituted by halogen, alkyl or alkoxy of 1 to 4 carbon atoms; or adamantyl, R.sub.1 is hydrogen, halogen, alkyl or alkoxy of 1 to 4 carbon atoms, trifluoromethyl in the 5, 6 or 7 position, or a nitro or A--NH-- group in the 4 or 5 position, wherein A is formyl or alkanoyl of 2 to 4 carbon atoms, and R.sub.2 is hydrogen, or, when R.sub.1 is alkyl of 1 to 4 carbon atoms, also alkyl of 1 to 4 carbon atoms, or, when R.sub.1 is alkoxy of 1 to 4 carbon atoms, also alkoxy of 1 to 4 carbon atoms, With the general proviso that the 8 position of the isoquinoline ring is unsubstituted, and any halogen substituent which may present in the 3 or 4 position is other than fluorine, Useful as .beta.-blocking agents with metabolic effects.

  本发明提供了式I的新化合物，其中R是3至7个碳原子的低级烷基或环烷基; 3至7个碳原子的环烷基，其被1至4个碳原子的烷基取代; 5至9个碳原子的α-二烷基丙炔基或α-二烷基烯丙基; 2至7个碳原子的羟基烷基，其中羟基与R结合的氮原子至少相隔两个碳原子; 苯乙基; 被卤素、1至4个碳原子的烷基或烷氧基取代的苯乙基; 或金刚烷基，R1是氢、卤素、1至4个碳原子的烷基或烷氧基、5、6或7位上的三氟甲基，或4或5位上的硝基或A-NH-基，其中A是2至4个碳原子的甲酰基或脂肪酰基，R2是氢，或当R1是1至4个碳原子的烷基时，也是1至4个碳原子的烷基，或当R1是1至4个碳原子的烷氧基时，也是1至4个碳原子的烷氧基，一般而言，异喹啉环的8位未被取代，任何可能存在于3或4位的卤素取代基均不是氟，可用作具有代谢作用的β-阻滞剂。
• 2-(3-Amino-2-hydroxy-propoxy)pyridine derivatives and pharmaceutical
  申请人：Ciba-Geigy Corporation

  公开号：US04195090A1

  公开（公告）日：1980-03-25

  Heterocyclic compounds of the formula ##STR1## wherein Het denotes optionally substituted pyridazinyl, pyrimidinyl, pyrazinyl or substituted pyridyl, R.sub.1 is hydrogen or methyl and R.sub.2 is lower alkyl, optionally substituted phenyl-lower alkyl, carboxy-lower alkyl or functionally modified carboxy-lower alkyl, their condensation products with aldehydes, ketones or carbonic acid and their N-oxides, which are valuable (cardioselective) .beta.-rezeptor blocking agents, and/or (cardioselective) .beta.-rezeptor-stimulants.

  式中，Het表示可选取代的吡啶并嗪基、嘧啶基、吡嗪基或取代的吡啶基，R.sub.1为氢或甲基，R.sub.2为低碳基、可选取代的苯基-低碳基、羧基-低碳基或功能修饰的羧基-低碳基，它们与醛、酮或碳酸的缩合产物以及它们的N-氧化物是有价值的（心脏选择性）β-受体阻滞剂和/或（心脏选择性）β-受体激动剂。
• Aromatic aminoethanol compounds, and utilization thereof as
  申请人：Kowa Company, Ltd.

  公开号：US04482562A1

  公开（公告）日：1984-11-13

  A compound represented by the following formula ##STR1## wherein A represents a direct bond or the bond --O--CH.sub.2 --, B represents a C.sub.1 -C.sub.11 alkylene group bonded to a carbon atom of the aromatic ring D either directly or through --O--, --S--, --SO-- or --NH--, W represents a carbon or nitrogen atom, R.sub.1 represents a C.sub.3 -C.sub.7 alkyl group, a hydroxy-C.sub.1 -C.sub.6 alkyl group, or a phenyl- or diphenyl-alkyl group with the alkyl group having 1 to 4 carbon atoms, R.sub.2 represents a member selected from the group consisting of hydrogen, halogen, OH, C.sub.1 -C.sub.4 alkyl, NO.sub.2, C.sub.1 -C.sub.4 alkoxy, acetyl, allyloxy, carbamoyl and sulfamoyl, and when two or more R.sub.2 groups exist, they may be identical or different, and n represents 1, 2 or 3 and m represents 1 or 2, provided that n+m.gtoreq.4; and an acid addition salt thereof; a process for producing the same; and a pharmaceutical composition comprising aforesaid compound.

  以下是用下列式子表示的化合物##STR1## 其中，A代表直接键或键--O--CH.sub.2 --，B代表一个C.sub.1-C.sub.11烷基组，通过--O--，--S--，--SO--或--NH--与芳香环D上的碳原子直接连接或连接，W代表碳或氮原子，R.sub.1代表C.sub.3-C.sub.7烷基，羟基-C.sub.1-C.sub.6烷基或苯基或二苯基烷基，其中烷基含有1至4个碳原子，R.sub.2代表从氢，卤素，OH，C.sub.1-C.sub.4烷基，NO.sub.2，C.sub.1-C.sub.4烷氧基，乙酰基，烯丙氧基，氨基甲酰基和磺酰基中选择的成员，当存在两个或更多的R.sub.2基团时，它们可以相同或不同，n代表1、2或3，m代表1或2，前提是n+m≥4；以及其酸加成盐；制备该化合物的方法；以及包含上述化合物的药物组合物。