2-methyl-3-thiophen-3-ylpropionic acid | 20174-15-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 杂芳族化合物
• 英文名称: 2-methyl-3-thiophen-3-ylpropionic acid
• 英文别名: 2-Methyl-3-(3-thienyl)propanoic acid；2-Methyl-3--propionsaeure；2-Methyl-3-(thiophen-3-yl)propanoic acid；2-methyl-3-thiophen-3-ylpropanoic acid
• CAS: 20174-15-6
• 化学式: C₈H₁₀O₂S
• 分子量: 170.232
• InChiKey: ZJYPHKVAJKRRDC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  11
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  65.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-methyl-3-thiophen-3-ylpropionic acid 以 乙醚 为溶剂， 反应 2.0h， 生成 2-methyl-3-thiophen-3-ylpropanol
  参考文献：
  名称：

  Kinetic resolution of primary 2-methyl-substituted alcohols via Pseudomonas cepacia lipase-catalysed enantioselective acylation

  摘要：

  研究了来自洋葱伯克霍尔德菌（Pseudomonas cepacia）的脂肪酶（如PFL、Amano PS等）在对一系列一级2-甲基取代醇使用乙酸乙烯酯作为酰基供体进行有机溶剂中的转酯化反应时的对映选择性。在对映选择性方面，最佳结果出现在3-芳基-2-甲基丙-1-醇中，大多数情况下对映体比例（E值）超过100，而其他3-取代的一级2-甲基丙-1-醇通常显示出较低的对映选择性：3-环烷基-2-甲基丙-1-醇（E ≈ 20）和2-甲基烷-1-醇（E ≈ 10）。将芳基团更靠近或远离手性中心会导致低对映选择性：2-芳基丙-1-醇（E < 10）、2-甲基-4-（2-噻吩基）丁-1-醇（E = 12）、2-甲基-5-（2-噻吩基）戊-1-醇（E = 3.2）和2-甲基-6-（2-噻吩基）己-1-醇（E = 3.8）。

  DOI：

  10.1039/a908023f
• 作为产物：
  描述：

  3-溴甲基噻吩 在 氢氧化钾 、 sodium 作用下， 以 乙醇 为溶剂， 反应 52.0h， 生成 2-methyl-3-thiophen-3-ylpropionic acid
  参考文献：
  名称：

  Sex Pheromone of the Pine Sawfly, Macrodiprion nemoralis. Stereoselective Synthesis of the Sixteen Stereoisomers of 3,7,9-Trimethyl-2-tridecyl Acetate.

  摘要：

  The sixteen stereoisomers of 3,7,9-trimethyl-2-tridecyl acetate (5Ac) were prepared individually, each in over 99.5% stereochemical purity. The syntheses were based on the ring opening of a pure enantiomer of cis-3,4-dimethyl-gamma-butyrolactone using a pure stereoisomer of 1-lithio-2,4-dimethyloctane, the two stereogenic centres of which were introduced with high selectivity by alkylations of the amide enolates from the appropriate enantiomers of pseudoephedrine. (2S,3R,7R,9S)-3,7,9-Trimethyl-2-tridecyl acetate (SRRS-5Ac) has recently been found to be the major component of the female sex pheromone of Macrodiprion nemoralis (Hymenoptera: Diprionidae). A synthetic method for the preparation of a sixteen isomer mixture of 5Ac is also presented. This mixture has been found to be biologically active in field tests.

  DOI：

  10.3891/acta.chem.scand.53-0620

文献信息

• IDENTIFICATION OF COMPOUNDS MODIFYING A CELLULAR RESPONSE
  申请人：Thastrup Ole

  公开号：US20130123140A1

  公开（公告）日：2013-05-16

  The present invention relates to methods for identifying compounds capable of modulating a cellular response. The methods involve attaching living cells to solid supports comprising a library of test compounds. The test compounds are linked to the solid support via cleavable linkers and may thus be released from the solid supports. Solid supports comprising cells, wherein the cellular response of interest has been modulated are selected and the test compound of the solid support can then be identified. The cellular response may for example be changes in complex formation between proteins.

  本发明涉及识别能够调节细胞响应的化合物的方法。该方法包括将活细胞附着在包含一系列测试化合物的固体支持物上。测试化合物通过可切断的连接物与固体支持物相连，因此可以从固体支持物中释放出来。选择细胞响应已被调节的固体支持物，并可以鉴定固体支持物中的测试化合物。例如，细胞响应可以是蛋白质之间复合物形成的变化。
• Novel 8-substituted purines as selective adenosine receptor agents
  申请人：MERRELL PHARMACEUTICALS INC.

  公开号：EP0503563A2

  公开（公告）日：1992-09-16

  The present invention relates to certain novel 8-substituted purines as selective A₁-adenosine receptor antagonists which are useful in the treatment of patients suffering from Alzheimer's disease, congestive heart failure or pulmonary bronchoconstriction.

  本发明涉及某些新型 8-取代嘌呤作为选择性 A₁-腺苷受体拮抗剂，可用于治疗阿尔茨海默病、充血性心力衰竭或肺支气管收缩患者。
• Acetanilides
  申请人：NIHON BAYER AGROCHEM K.K.

  公开号：EP0521365A1

  公开（公告）日：1993-01-07

  The invention relates to novel acetanilides of the formula (I) wherein Arrepresents phenyl, furyl or thienyl, R¹represents hydrogen, C₁₋₅-alkyl, C₃₋₆-cycloalkyl, C₃₋₆-cycloalkyl-methyl, C₃₋₅ alkenyl, C₃₋₅-alkynyl, C₁₋₃-haloalkyl, C₃₋₅-epoxyalkyl, C₁₋₃-alkoxy-C₁₋₄-alkyl, C₁₋₃-alkylthio-C₁₋₄-alkyl, C₁₋₃-alkoxycarbonyl-C₁₋₂-alkyl, cyano-C₁₋₃-alkyl, or aralkyl R²represents hydrogen or C₁₋₃-alkyl, R³represents hydrogen or C₁₋₃-alkyl, Xrepresents halogen, and Yrepresents iso-propyl,tert-butyl, C₁₋₂-haloalkyl, C₁₋₂-haloalkoxy, C₁₋₂-haloalkylthio or C₁₋₂-alkylsulfonyl, to processes for their preparation and to their use as herbicides. The invention also relates to novel intermediates and to processes for their preparation.

  本发明涉及式 (I) 的新型乙酰苯胺 式中 Ar 代表苯基、呋喃基或噻吩基、 R¹ 代表氢、C₁₋₅-烷基、C₃₋₆-环烷基、C₃₋₆-环烷基-甲基、C₃₋₅-烯基、C₃₋₅-炔基、C₁₋₃-卤代烷基、C₃₋₅-环氧烷基、C₁₋₃-烷氧基-C₁₋₄-烷基、C₁₋₃-烷硫基-C₁₋₄-烷基、C₁₋₃-烷氧基羰基-C₁₋₂-烷基、氰基-C₁₋₃-烷基或芳烷基 R² 代表氢或 C₁₋₃-烷基、 R³ 代表氢或 C₁₋₃ 烷基、 X 代表卤素，和 Y 代表异丙基、叔丁基、C₁₋₂-卤代烷基、C₁₋₂-卤代烷氧基、C₁₋₂-卤代烷硫基或 C₁₋₂-烷基磺酰基、 本发明还涉及新型除草剂。本发明还涉及新型中间体及其制备工艺。
• US5296454A
  申请人：——

  公开号：US5296454A

  公开（公告）日：1994-03-22
• US8673178B2
  申请人：——

  公开号：US8673178B2

  公开（公告）日：2014-03-18