methyl-[2]thienylmethyl-malonic acid diethyl ester | 157406-13-8

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: methyl-[2]thienylmethyl-malonic acid diethyl ester
• 英文别名: Methyl-[2]thienylmethyl-malonsaeure-diaethylester；Diethyl 2-methyl-2-(thiophen-2-ylmethyl)propanedioate；diethyl 2-methyl-2-(thiophen-2-ylmethyl)propanedioate
• CAS: 157406-13-8
• 化学式: C₁₃H₁₈O₄S
• mdl: MFCD26276014
• 分子量: 270.35
• InChiKey: NYHVKOSUZBSREJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  18
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.538
• 拓扑面积：
  80.8
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  methyl-[2]thienylmethyl-malonic acid diethyl ester 在 氢氧化钾 、 phosphate buffer 、 Nocardia diaphanozonaria JCM 3208 whole cells 、 硫酸 作用下， 以 乙醇 、 水 为溶剂， 反应 89.0h， 生成 (E)-2-甲基-3-(2-噻吩基)-2-丙烯酸
  参考文献：
  名称：

  Microbial deracemization of α-substituted carboxylic acids: control of the reaction path

  摘要：

  A novel approach to preparing optically active alpha-substituted carboxylic acids using the whole cells of Nocardia diaphanozonaria JCM 3208 is described. When 2-phenylthiopropanoic acid and 2-methyl-3-phenylpropanoic acid were subjected to the reaction under aerobic conditions, the oxidation reaction proceeded preferentially rather than deracemization of these substrates. Herein, we report the design of reaction conditions to increase the deracemization activity in preference to oxidation reactions. In addition, we have successfully detected a metabolic intermediate in the reaction mixture of 2-methyl-3-plienylpropanoic acid, which indicates that the deracemization is a competitive reaction against the beta-oxidation pathway of fatty acid metabolism. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2004.06.049
• 作为产物：
  描述：

  2-噻吩甲醇 在 氯化亚砜 、 sodium ethanolate 作用下， 以 乙醇 为溶剂， 反应 15.5h， 生成 methyl-[2]thienylmethyl-malonic acid diethyl ester
  参考文献：
  名称：

  Microbial deracemization of α-substituted carboxylic acids: control of the reaction path

  摘要：

  A novel approach to preparing optically active alpha-substituted carboxylic acids using the whole cells of Nocardia diaphanozonaria JCM 3208 is described. When 2-phenylthiopropanoic acid and 2-methyl-3-phenylpropanoic acid were subjected to the reaction under aerobic conditions, the oxidation reaction proceeded preferentially rather than deracemization of these substrates. Herein, we report the design of reaction conditions to increase the deracemization activity in preference to oxidation reactions. In addition, we have successfully detected a metabolic intermediate in the reaction mixture of 2-methyl-3-plienylpropanoic acid, which indicates that the deracemization is a competitive reaction against the beta-oxidation pathway of fatty acid metabolism. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2004.06.049

文献信息

• 헤테로 원자를 갖는 전이금속 화합물, 이를 포함하는 촉매 조성물 및 이를 이용한 중합체의 제조방법
  申请人：LG CHEM, LTD. 주식회사 엘지화학(120010134563) Corp. No ▼ 110111-2207995BRN ▼107-81-98139

  公开号：KR20150044413A

  公开（公告）日：2015-04-24

  본 명세서에는 헤테로 원자가 도입된 신규한 구조의 전이금속 화합물, 이를 포함하는 촉매 조성물 및 이를 이용한 중합체의 제조방법이 기재된다. 본 발명의 일 실시예에 따른 상기 전이금속 화합물은 공중합성이 우수하고 저밀도 고분자를 제조할 수 있으므로 다양한 용도의 공중합체 제조가 가능할 수 있다.

  本说明书涵盖了引入杂原子的新型结构的过渡金属化合物，包括催化剂组合物以及使用它们制备聚合物的方法。根据本发明的一个实施例，所述过渡金属化合物具有优异的聚合性能，可以制备低密度高分子，因此可以用于制备各种用途的聚合物。
• TRANSITION METAL COMPOUND HAVING HETEROATOM, A CATALYST COMPOSITION COMPRISING SAME, AND METHOD FOR PREPARING POLYMER USING SAME
  申请人：LG Chem, Ltd.

  公开号：EP2905285A1

  公开（公告）日：2015-08-12

  The present invention discloses a transition metal compound having a novel structure and including a heteroatom, a catalyst composition including the same, and a method for preparing polymers using the same. The transition metal compound according to an embodiment of the present invention has good copolymerization properties, and a polymer having a low density may be prepared using thereof. Thus, a copolymer having various uses may be prepared.

  本发明公开了一种具有新型结构并包括一个杂原子的过渡金属化合物、一种包括该化合物的催化剂组合物以及一种使用该化合物制备聚合物的方法。根据本发明一个实施例的过渡金属化合物具有良好的共聚性能，使用它可以制备出密度较低的聚合物。因此，可以制备出具有各种用途的共聚物。
• Cagniant, Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, 1951, vol. 232, p. 734
  作者：Cagniant

  DOI：——

  日期：——
• TRANSITION METAL COMPOUND HAVING HETEROATOM, CATALYSTIC COMPOSITION INCLUDING THE SAME, AND METHOD FOR PREPARING POLYMERS USING THE SAME
  申请人：LG CHEM, LTD

  公开号：US20150239916A1

  公开（公告）日：2015-08-27

  The present invention discloses a transition metal compound having a novel structure and including a heteroatom, a catalyst composition including the same, and a method for preparing polymers using the same. The transition metal compound according to an embodiment of the present invention has good copolymerization properties, and a polymer having a low density may be prepared using thereof. Thus, a copolymer having various uses may be prepared.
• US9359388B2
  申请人：——

  公开号：US9359388B2

  公开（公告）日：2016-06-07