3-Hydroxy-3-n-propyl-hexansaeure | 23985-60-6

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羟基酸及其衍生物
• 英文名称: 3-Hydroxy-3-n-propyl-hexansaeure
• 英文别名: 3-N-Propyl-3-hydroxy-hexancarbonsaeure；3-Hydroxy-3-propyl-hexancarbonsaeure；3-hydroxy-3-propyl-hexanoic acid；3-Hydroxy-3-propyl-hexansaeure；β-Oxy-β-propyl-pentan-α-carbonsaeure；β-Oxy-β-propyl-n-capronsaeure；β.β.-Dipropyl-hydracrylsaeure；2-Oxy-2-propyl-pentan-carbonsaeure-(1)；4-Aethylsaeure-heptanol-(4)；3-n-propyl-3-hydroxy-hexanoic acid；3-hydroxy-3-n-propylhexanoic acid；3-Hydroxy-3-propylhexanoic acid
• CAS: 23985-60-6
• 化学式: C₉H₁₈O₃
• mdl: MFCD16749116
• 分子量: 174.24
• InChiKey: HEOUUPQKAMHMIW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  12
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.888
• 拓扑面积：
  57.5
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-Hydroxy-3-n-propyl-hexansaeure 生成 3-丙基己酸
  参考文献：
  名称：

  Taillandier; Benoit Guyod; Boucherle, European Journal of Medicinal Chemistry, 1975, vol. 10, # 5, p. 453 - 462

  摘要：

  DOI：
• 作为产物：
  描述：

  4-庚酮 在 lithium 、 溶剂黄146 作用下， 以 四氢呋喃 为溶剂， 以59%的产率得到3-Hydroxy-3-n-propyl-hexansaeure
  参考文献：
  名称：

  Acetic acid derivatives having pharmacological activity and compositions

  摘要：

  乙酸衍生物的化学式为：##STR1##及其在药学上可接受的碱金属盐，其中R代表基团##STR2##其中R.sub.1和R.sub.2，可以相同也可以不同，每个代表具有1至4个碳原子的烷基基团，R.sub.3代表氢原子或甲基基团，n是在0至3范围内的整数。它们具有相对于γ-氨基丁酸α-酮戊二酸转氨酶的竞争性抑制活性，以及抗缺氧和抗抽搐特性，可用于治疗中枢神经系统疾病，无论是由脑缺血引起还是其他原因。

  公开号：

  US04025649A1

文献信息

• Acetic acid derivatives having pharmacological activity and compositions
  申请人：Labaz

  公开号：US04025649A1

  公开（公告）日：1977-05-24

  Acetic acid derivatives of the formula: ##STR1## and pharmaceutically acceptable alkali metal salts thereof, wherein R represents the radical ##STR2## in which R.sub.1 and R.sub.2, which may be the same or different, each represent an alkyl radical having from 1 to 4 carbon atoms, R.sub.3 represents a hydrogen atom or a methyl radical and n is an integer in the range of from 0 to 3 inclusive. They possess a competitive inhibitory activity with respect to .gamma.-aminobutyric .alpha.-ketoglutaric transaminase as well as antianoxic and anticonvulsant properties and they are useful for treating central neurological disorders whether resulting or not from cerebral ischemia.

  乙酸衍生物的化学式为：##STR1##及其在药学上可接受的碱金属盐，其中R代表基团##STR2##其中R.sub.1和R.sub.2，可以相同也可以不同，每个代表具有1至4个碳原子的烷基基团，R.sub.3代表氢原子或甲基基团，n是在0至3范围内的整数。它们具有相对于γ-氨基丁酸α-酮戊二酸转氨酶的竞争性抑制活性，以及抗缺氧和抗抽搐特性，可用于治疗中枢神经系统疾病，无论是由脑缺血引起还是其他原因。
• Investigation in the Dipropylacetic Acid Series, C8 and C9 Branched Chain Ethylenic Acids and Amides
  作者：Georges Taillandier、Jean-Louis Benoit-Guyod、Andre Boucherle、Claude Laruelle

  DOI：10.1002/ardp.19773100509

  日期：——

  2‐Propyl‐2‐pentenoic acid was prepared. Its stereochemistry was determined using the A.S.I.S.‐effect. The dehalogenation by N,N‐diethylaniline of some N‐substituted 2‐bromo‐2,2‐dipropyl‐acetamides gave the corresponding unsaturated amides. The configurations of these compounds are discussed on the basis of NMR data obtained with and without complexation with tris(dipivaloylmethano)europium [Eu (DPM)3]

  制备2-丙基-2-戊烯酸。使用 ASIS 效应确定其立体化学。一些N-取代的2-溴-2,2-二丙基-乙酰胺经N,N-二乙基苯胺脱卤得到相应的不饱和酰胺。这些化合物的构型是根据与三（二新戊酰基甲烷）铕[Eu (DPM) 3] 络合和未络合而获得的 NMR 数据进行讨论的。
• 9, 10-SECOPREGNANE DERIVATIVE AND PHARMACEUTICAL
  申请人：Fujieda Hiroki

  公开号：US20100016263A1

  公开（公告）日：2010-01-21

  A main object of the invention is to provide a novel useful vitamin D 3 derivative, which has an excellent vitamin D 3 activity and, as compared with conventional vitamin D 3 derivatives, has a relatively small amount of influence on the systemic calcium metabolism. The invention includes a 9,10-secopregnane derivative of the following general formula [1] and a pharmaceutical composition containing it as active ingredient. In the general formula [1], the following partial structure between the 16-position and the 17-position means a single bond or a double bond: Y is a single bond, an alkylene, an alkenylene or phenylene; R 1 and R 2 are the same or different, each represents hydrogen, an alkyl or a cycloalkyl; or R 1 and R 2 , taken together with the adjacent carbon atom, form a cycloalkyl; R 3 is hydrogen or methyl; Z is hydrogen, hydroxy or —NR 11 R 12 .

  本发明的主要目的是提供一种新型有用的维生素D3衍生物，其具有优异的维生素D3活性，并且与传统的维生素D3衍生物相比，对全身钙代谢的影响较小。该发明包括以下通式[1]的9,10-secopregnane衍生物和含其作为活性成分的药物组合物。 在通式[1]中，16位和17位之间的以下部分结构表示单键或双键：Y表示单键、烷基、烯基或苯基；R1和R2相同或不同，每个代表氢、烷基或环烷基；或者R1和R2与相邻的碳原子结合形成环烷基；R3为氢或甲基；Z为氢、羟基或-NR11R12。
• 9,10-SECOPREGNANE DERIVATIVES AND MEDICINE
  申请人：Fujieda Hiroki

  公开号：US20100130454A1

  公开（公告）日：2010-05-27

  A novel useful vitamin D3 derivative which is reduced in influence on systemic calcium metabolism while retaining excellent vitamin D3 activity. The derivative is a 9,10-secopregnane derivative represented by the following general formula [1]. Also provided is a medicinal composition containing the derivative as an active ingredient. In the general formula [1], Y represents (1) a single bond, (2) alkylene (3) alkenylene, or (4) phenylene; R 1 and R 2 are the same or different and each represents (1) hydrogen, (2) alkyl, or (3) cycloalkyl, or R 1 and R 2 in combination represent cycloalkyl in cooperation with the adjacent carbon atom; R 3 represents hydrogen or methyl; and Z represents (1) hydrogen, (2) hydroxy, or (3) —NR 11 R 12 .

  一种新型有用的维生素D3衍生物，其对全身钙代谢的影响减少，同时保留了优异的维生素D3活性。该衍生物是一种9,10-secopregnane衍生物，其通式表示如下[1]。还提供了一种含有该衍生物作为活性成分的药物组合物。在通式[1]中，Y代表(1)单键，(2)烷基，(3)烯基或(4)苯基；R1和R2相同或不同，每个代表(1)氢，(2)烷基或(3)环烷基，或者R1和R2结合代表与相邻碳原子协作的环烷基；R3代表氢或甲基；Z代表(1)氢，(2)羟基或(3)-NR11R12。
• POLYURETHANES
  申请人：Ercole Francesca

  公开号：US20120252967A1

  公开（公告）日：2012-10-04

  The present invention relates to a polyurethane polymer comprising as part of its polymer backbone an α-oxy carbonyl moiety of general formula (I), where A and B represent the remainder of the polymer backbone and are the same or different, and R is an optionally substituted aliphatic hydrocarbon having three or more carbon atoms.

  本发明涉及一种聚氨酯聚合物，其聚合物主链中包含通式(I)的α-氧基羰基基团，其中A和B代表聚合物主链的其余部分，可以相同也可以不同，R是具有三个或三个以上碳原子的可选择取代的脂肪族碳氢化合物。