sec-Amyl propionate | 5468-56-4

• 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: sec-Amyl propionate
• 英文别名: 3-Pentanol, propanoate；pentan-3-yl propanoate
• CAS: 5468-56-4
• 化学式: C₈H₁₆O₂
• 分子量: 144.214
• InChiKey: VQSLYBNAHOGNCE-UHFFFAOYSA-N

物化性质

• 沸点：
  156.3±8.0 °C(Predicted)
• 密度：
  0.876±0.06 g/cm3(Predicted)
• 保留指数：
  930

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  10
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2915509000

反应信息

• 作为反应物：
  描述：

  sec-Amyl propionate 在 正丁基锂 、 四氯化钛 、 二异丙胺 作用下， 以 二氯甲烷 为溶剂， 反应 5.0h， 生成 1-ethylpropyl (2SR,3RS)-3-hydroxy-2-methylpentanoate
  参考文献：
  名称：

  Stereochemically controlled synthesis of racemic sitophilate, the aggregational pheromone of the grain weevil

  摘要：

  DOI：

  10.1007/bf00960333
• 作为产物：
  描述：

  3-戊醇 、 丙酰氯 在 吡啶 作用下， 以 二氯甲烷 为溶剂， 以47%的产率得到sec-Amyl propionate
  参考文献：
  名称：

  Stereochemically controlled synthesis of racemic sitophilate, the aggregational pheromone of the grain weevil

  摘要：

  DOI：

  10.1007/bf00960333

文献信息

• Bna Conjugates and Methods of Use
  申请人：James Kenneth D.

  公开号：US20080207505A1

  公开（公告）日：2008-08-28

  Modified natriuretic compounds and conjugates thereof are disclosed in the present invention. In particular, conjugated forms of hBNP are provided that include at least one modifying moiety attached thereto. The modified natriuretic compound conjugates retain activity for stimulating cGMP production, binding to NPR-A receptor, decreasing arterial blood pressure and in some embodiments an improved half-life in circulation as compared to unmodified counterpart natriuretic compounds. Oral, parenteral, enteral, subcutaneous, pulmonary, and intravenous forms of the compounds and conjugates may be prepared as treatments and/or therapies for heart conditions particularly congestive heart failure. Modifying moieties comprising oligomeric structures having a variety of lengths and configurations are also disclosed. Analogs of the hBNP compound are also disclosed, having an amino acid sequence that is other than the native sequence.

  本发明公开了改性利钠肽化合物及其共轭物。具体而言，提供了至少连接有一个修饰基团的hBNP的共轭形式。这些改性利钠肽化合物共轭物保留了刺激cGMP产生、结合NPR-A受体、降低动脉血压以及在某些实施例中相对于未经改性的对应利钠肽化合物具有改善的循环半衰期的活性。这些化合物和共轭物的口服、静脉注射、肠内、皮下、肺部和静脉形式可作为治疗和/或治疗心脏病症，特别是充血性心力衰竭的治疗。还公开了包含具有各种长度和构型的寡聚结构的修饰基团。此外，还公开了hBNP化合物的类似物，其氨基酸序列与天然序列不同。
• Efficient Palladium-Catalyzed Alkoxycarbonylation of Bulk Industrial Olefins Using Ferrocenyl Phosphine Ligands
  作者：Kaiwu Dong、Rui Sang、Xianjie Fang、Robert Franke、Anke Spannenberg、Helfried Neumann、Ralf Jackstell、Matthias Beller

  DOI：10.1002/anie.201700317

  日期：2017.5.2

  context, we report a novel class of ferrocenyl phosphines for the alkoxycarbonylation of industrially important alkenes. A basic feature of our ligands is the combination of sterically hindered and amphoteric moieties on the P atoms, which leads to improved activity and productivity for alkoxycarbonylation reactions compared to the current industrial state‐of‐the‐art ligand 1,2‐bis((di‐tert‐butylphos

  配体的发展起着关键作用，并在均相催化方面提供了重要的创新。在这种情况下，我们报告了工业上重要烯烃的烷氧基羰基化的一类新的二茂铁膦。我们配体的基本特征是P原子上的空间位阻和两性基团的结合，与目前工业上最先进的配体1,2-bis（（二叔丁基膦基）甲基）苯）。有利地，具有这些新型配体的钯催化剂还可以在较温和的反应条件下进行这种转化而无需额外的酸。优化的配体的实用性通过大于10 g的规模制备及其在钯催化的千克级羰基化反应中的应用得到证明。
• Benzamidine derivatives
  申请人：SANKYO COMPANY, LIMITED

  公开号：US20040248981A1

  公开（公告）日：2004-12-09

  Benzamidine derivatives of formula (I) or pharmaceutically acceptable salts thereof exhibit excellent inhibitory activity against factor Xa and are useful for treating or preventing blood coagulation disorders: 1 wherein R 1 represents a hydrogen atom, a halogen atom, an alkyl group or a hydroxyl group; R 2 represents a hydrogen atom, a halogen atom or an alkyl group, R 3 represents a hydrogen atom, an optionally substituted alkyl group, an aralkyl group, an optionally substituted alkanoyl group or an optionally substituted alkylsulfonyl group, R 4 and R 5 are the same as or different from each other and each represent a hydrogen atom, a halogen atom, an optionally substituted alkyl group, an alkoxy group, a carboxyl-group, an alkoxycarbonyl group or an optionally substituted carbamoyl group, and R 6 represents a substituted pyrrolidine group or substituted piperidine group.

  公式（I）中的苯甲酰胺衍生物或其药学上可接受的盐表现出优异的抑制因子Xa的活性，可用于治疗或预防血液凝固障碍：其中R1代表氢原子，卤原子，烷基或羟基；R2代表氢原子，卤原子或烷基，R3代表氢原子，可选取代的烷基，芳基烷基，可选取代的烷酰基或可选取代的烷基磺酰基，R4和R5相同或不同，每个代表氢原子，卤原子，可选取代的烷基，烷氧基，羧基，烷氧羰基或可选取代的氨基甲酰基，而R6代表取代的吡咯烷基或取代的哌嗪烷基。
• BENZAMIDINE DERIVATIVES
  申请人：Sankyo Company, Limited

  公开号：EP1245564A1

  公开（公告）日：2002-10-02

  Benzamidine derivatives of formula (I) or pharmaceutically acceptable salts thereof exhibit excellent inhibitory activity against factor Xa and are useful for treating or preventing blood coagulation disorders: wherein R1 represents a hydrogen atom, a halogen atom, an alkyl group or a hydroxyl group; R2 represents a hydrogen atom, a halogen atom or an alkyl group, R3 represents a hydrogen atom, an optionally substituted alkyl group, an aralkyl group, an optionally substituted alkanoyl group or an optionally substituted alkylsulfonyl group, R4 and R5 are the same as or different from each other and each represent a hydrogen atom, a halogen atom, an optionally substituted alkyl group, an alkoxy group, a carboxyl group, an alkoxycarbonyl group or an optionally substituted carbamoyl group, and R6 represents a substituted pyrrolidine group or substituted piperidine group.

  式（I）的苯甲脒衍生物或其药学上可接受的盐类对 Xa 因子具有优异的抑制活性，可用于治疗或预防血液凝固紊乱： 其中 R1 代表氢原子、卤素原子、烷基或羟基；R2代表氢原子、卤素原子或烷基，R3代表氢原子、任选取代的烷基、芳烷基、任选取代的烷酰基或任选取代的烷磺酰基，R4和R5彼此相同或不同，各自代表氢原子、卤素原子、任选取代的烷基、烷氧基、羧基、烷氧羰基或任选取代的氨基甲酰基，R6代表取代的吡咯烷基或取代的哌啶基。
• Ferrocene-based compounds and palladium catalysts based thereon for the alkoxycarbonylation of ethylenically unsaturated compounds
  申请人：EVONIK DEGUSSA GMBH

  公开号：US10077228B2

  公开（公告）日：2018-09-18

  The invention relates to a compound of formula (I) where R1, R2, R3, R4 are each independently selected from —(C1-C12)-alkyl, —(C3-C12)-cycloalkyl, —(C3-C12)-heterocycloalkyl, —(C6-C20)-aryl, —(C3-C20)-heteroaryl; at least one of the R1, R2, R3, R4 radicals is a —(C6-C20)-heteroaryl radical having at least six ring atoms; and R1, R2, R3, R4, if they are —(C1-C12)-alkyl, —(C3-C12)-cycloalkyl, —(C3-C12)-heterocycloalkyl, —(C6-C20)-aryl, —(C3-C20)-heteroaryl or —(C6-C20)-heteroaryl, may each independently be substituted by one or more substituents selected from —(C1-C12)-alkyl, —(C3-C12)-cycloalkyl, —(C3-C12)-heterocycloalkyl, —O—(C1-C12)-alkyl, —O—(C1-C12)-alkyl-(C6-C20)-aryl, —O—(C3-C12)-cycloalkyl, —S—(C1-C12)-alkyl, —S—(C3-C12)-cycloalkyl, —COO—(C1-C12)-alkyl, —COO—(C3-C12)-cycloalkyl, —CONH—(C1-C12)-alkyl, —CONH—(C3-C12)-cycloalkyl, —CO—(C1-C12)-alkyl, —CO—(C3-C12)-cycloalkyl, —N—[(C1-C12)-alkyl]2, —(C6-C20)-aryl, —(C6-C20)-aryl-(C1-C12)-alkyl, —(C6-C20)-aryl-O—(C1-C12)-alkyl, —(C3-C20)-heteroaryl, —(C3-C20)-heteroaryl-(C1-C12)-alkyl, —(C3-C20)-heteroaryl-O—(C1-C12)-alkyl, —COOH, —OH, —SO3H, —NH2, halogen. The invention further relates to precursors for preparation of the compound according to the invention, to Pd complexes comprising the compound according to the invention and to the use thereof in alkoxycarbonylation.

  本发明涉及一种式 (I) 的化合物 其中 R1、R2、R3、R4 各自独立选自-(C1-C12)-烷基、-(C3-C12)-环烷基、-(C3-C12)-杂环烷基、-(C6-C20)-芳基、-(C3-C20)-杂芳基； R1、R2、R3、R4 自由基中至少有一个是具有至少六个环原子的-(C6-C20)-杂芳基； 和 R1、R2、R3、R4 如果是-(C1-C12)-烷基、-(C3-C12)-环烷基、-(C3-C12)-杂环烷基、-(C6-C20)-芳基、-(C3-C20)-杂芳基或-(C6-C20)-杂芳基、 可各自独立地被一个或多个取代基取代，这些取代基选自-(C1-C12)-烷基、-(C3-C12)-环烷基、-(C3-C12)-杂环烷基、-O-(C1-C12)-烷基、-O-(C1-C12)-烷基-(C6-C20)-芳基、-O-(C3-C12)-环烷基、-S-(C1-C12)-烷基、-S-(C3-C12)-环烷基、-COO-(C1-C12)-烷基、-COO-(C3-C12)-环烷基、-CONH-(C1-C12)-烷基，-CONH-(C3-C12)-环烷基，-CO-(C1-C12)-烷基，-CO-(C3-C12)-环烷基，-N-[(C1-C12)-烷基]2，-(C6-C20)-芳基，-(C6-C20)-芳基-(C1-C12)-烷基、-(C6-C20)-芳基-O-(C1-C12)-烷基、-(C3-C20)-杂芳基、-(C3-C20)-杂芳基-(C1-C12)-烷基、-(C3-C20)-杂芳基-O-(C1-C12)-烷基、-COOH、-OH、-SO3H、-NH2、卤素。 本发明还涉及制备根据本发明的化合物的前体、包含根据本发明的化合物的钯配合物及其在烷氧基羰基化中的用途。