3-isopropoxy-propionic acid isopropyl ester | 4220-74-0

• 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: 3-isopropoxy-propionic acid isopropyl ester
• 英文别名: 3-Isopropyloxy-propionsaeure-isopropylester；3-Isopropoxy-propionsaeure-isopropylester；Propan-2-yl 3-[(propan-2-yl)oxy]propanoate；propan-2-yl 3-propan-2-yloxypropanoate
• CAS: 4220-74-0
• 化学式: C₉H₁₈O₃
• 分子量: 174.24
• InChiKey: KKIHPJWQDHMAFR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  12
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 海关编码：
  2918990090

反应信息

• 作为产物：
  描述：

  β-丙内酯 、 异丙醇 在 硫酸 作用下， 生成 3-isopropoxy-propionic acid isopropyl ester
  参考文献：
  名称：

  Gresham et al., Journal of the American Chemical Society, 1948, vol. 70, p. 1005

  摘要：

  DOI：

文献信息

• Process of preparing unsaturated carboxylic acid amides
  申请人：MITSUI TOATSU CHEMICALS, Inc.

  公开号：EP0321256A2

  公开（公告）日：1989-06-21

  A process is provided for the preparation of an N-substituted unsaturated carboxylic acid amide represented by the following formula: wherein R¹ means a hydrogen atom or methyl group, Y denotes a methylene group, oxygen atom or methylimino group, m and n stand individually for an integer of 0­-5, and m + n is an integer of 3-5. The process comprises reacting a specified β-alkoxy-substituted carboxylate with a specified cyclic amine to form a β-alkoxy-substituted carboxylic acid amide compound and then removing an alcohol from the carboxylic acid amide compound in the presence of a basic catalyst to form an unsaturated group.

  本发明提供了一种制备下式所代表的 N-取代不饱和羧酸酰胺的工艺： 其中 R¹ 表示氢原子或甲基，Y 表示亚甲基、氧原子或甲基亚氨基，m 和 n 分别表示 0-5 的整数，m+n 为 3-5 的整数。该工艺包括使指定的β-烷氧基取代的羧酸酯与指定的环胺反应生成β-烷氧基取代的羧酸酰胺化合物，然后在碱性催化剂存在下从羧酸酰胺化合物中除去醇以形成不饱和基团。
• Transfer Hydrogenation of Nitriles, Olefins, and <i>N</i>-Heterocycles Catalyzed by an <i>N</i>-Heterocyclic Carbene-Supported Half-Sandwich Complex of Ruthenium
  作者：Van Hung Mai、Georgii I. Nikonov

  DOI：10.1021/acs.organomet.5b00967

  日期：2016.4.11

  In the presence of KOBut, N-heterocyclic carbene-supported half-sandwich complex [Cp(IPr)Ru(pyr)(2)][PF6] (3) (IPr = 1,3-bis(2,6-diisopropylphenyl)imidazol-2ylidene) catalyzes transfer hydrogenation (TH) of nitriles, activated N-heterocycles, olefins, and conjugated olefins in isopropanol at the catalyst loading of 0.5%. The TH of nitriles leads to imines, produced as a result of coupling of the initially formed amines with acetone (produced from isopropanol), and showed good chemoselectivity. Reduction of N-heterocycles occurs for activated polycyclic substrates (e.g., quinoline) and takes place exclusively in the heterocycle. The TH also works well for linear and cyclic olefins but fails for trisubstituted substrates. However, the C=C bond of alpha,beta-unsaturated esters, amides, and acids is easily reduced even for trisubstituted species, such as isovaleriates. Mechanistic studies suggest that the active species in these catalytic reactions is the trihydride Cp(IPr)RuH3 (5), which can catalyze these reactions in the absence of any base. Kinetic studies are consistent with a classical inner sphere hydride-based mechanism of TH.
• Helms, Manfred; Fuellbier, Harry, Journal fur praktische Chemie (Leipzig 1954), 1986, vol. 328, # 4, p. 643 - 647
  作者：Helms, Manfred、Fuellbier, Harry

  DOI：——

  日期：——
• HELMS M.; FULLBIER H., J. PRAKT. CHEM., 328,(1986) N 4, 643-647
  作者：HELMS M.、 FULLBIER H.

  DOI：——

  日期：——
• US3987089A
  申请人：——

  公开号：US3987089A

  公开（公告）日：1976-10-19