4-methyl-2-oxo-pent-3-enoic acid | 143255-96-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 酮酸及其衍生物
• 英文名称: 4-methyl-2-oxo-pent-3-enoic acid
• 英文别名: 4-Methyl-2-oxo-pent-3-ensaeure；4-Methyl-2-oxo-3-pentenoic acid；4-methyl-2-oxopent-3-enoic acid
• CAS: 143255-96-3
• 化学式: C₆H₈O₃
• mdl: MFCD19230181
• 分子量: 128.128
• InChiKey: IPRZLUTUTLJYFV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  9
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.333
• 拓扑面积：
  54.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  Khellacton 、 4-methyl-2-oxo-pent-3-enoic acid 生成 (9-Hydroxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl) 3-methylbut-2-enoate
  参考文献：
  名称：

  BAL-TEMBE, SWATI;BHEDI, DILIP N.;SOUZA, NOEL J. DE;RUPP, RICHARD HELMUT, HETEROCYCLES, 26,(1987) N 5, 1239-1249

  摘要：

  DOI：
• 作为产物：
  描述：

  4-甲基-3戊烯-2-酮 在 1,4-二氧六环 、 氢氧化钾 、 selenium(IV) oxide 、 乙醇 、 silver nitrate 作用下， 生成 4-methyl-2-oxo-pent-3-enoic acid
  参考文献：
  名称：

  Kuhn; Trischmann, Justus Liebigs Annalen der Chemie, 1951, vol. 573, p. 55,58

  摘要：

  DOI：

文献信息

• Chiral synthesis with modified enzymes
  申请人：Genzyme Corporation

  公开号：US05770410A1

  公开（公告）日：1998-06-23

  A method for modifying the specificity or efficiency of an enzyme, while retaining its catalytic activity, is disclosed. The method is characterized by selecting an enzyme, the tertiary structure of which is substantially known or deduced; identifying a single specificity or efficiency-related region of the enzyme; identifying or constructing unique restriction sites bounding the identified region in the DNA coding therefor; generating a DNA sequence which corresponds to at least a portion of the identified region, except that the nucleotides of at least one codon are randomized, using the generated DNA sequence to replace the original such sequence; expressing the DNA including the generated DNA sequence; and selecting for a desired modification so that the DNA coding therefor may be isolated; the randomized DNA being generated by means of a PCR assembly method. Enzyme generated using this method, and having enhanced specificity or efficiency, are also disclosed.

  本发明公开了一种修改酶的特异性或效率，同时保持其催化活性的方法。该方法的特点是选择一个三级结构基本已知或推断的酶;确定酶的单一特异性或效率相关区域;识别或构建限制酶切位点，限制该区域的编码DNA;生成与所识别区域至少部分相对应的DNA序列，除了至少一个密码子的核苷酸是随机的，使用生成的DNA序列替换原始序列;表达包括生成的DNA序列的DNA;并选择所需的修饰，以便可以分离编码该修饰的DNA;随机化的DNA通过PCR组装方法生成。本发明还公开了使用该方法生成的具有增强特异性或效率的酶。
• In vivo and in vitro olefin cyclopropanation catalyzed by heme enzymes
  申请人：California Institute of Technology

  公开号：US10208322B2

  公开（公告）日：2019-02-19

  The present invention provides methods for catalyzing the conversion of an olefin to any compound containing one or more cyclopropane functional groups using heme enzymes. In certain aspects, the present invention provides a method for producing a cyclopropanation product comprising providing an olefinic substrate, a diazo reagent, and a heme enzyme; and admixing the components in a reaction for a time sufficient to produce a cyclopropanation product. In other aspects, the present invention provides heme enzymes including variants and fragments thereof that are capable of carrying out in vivo and in vitro olefin cyclopropanation reactions. Expression vectors and host cells expressing the heme enzymes are also provided by the present invention.

  本发明提供了使用血红素酶催化烯烃向任何含有一个或多个环丙烷官能团的化合物转化的方法。在某些方面，本发明提供了一种生产环丙烷化产物的方法，包括提供烯烃底物、重氮试剂和血红素酶；以及在反应中将各组分混合足够长的时间以生产环丙烷化产物。在其他方面，本发明提供了能够进行体内和体外烯烃环丙烷化反应的血红素酶，包括其变体和片段。本发明还提供了表达血红素酶的表达载体和宿主细胞。
• BAL-TEMBE, SWATI;BHEDI, DILIP N.;SOUZA, NOEL J. DE;RUPP, RICHARD HELMUT, HETEROCYCLES, 26,(1987) N 5, 1239-1249
  作者：BAL-TEMBE, SWATI、BHEDI, DILIP N.、SOUZA, NOEL J. DE、RUPP, RICHARD HELMUT

  DOI：——

  日期：——
• CHIRAL SYNTHESIS WITH MODIFIED ENZYMES
  申请人：Genzyme Limited

  公开号：EP0625205A1

  公开（公告）日：1994-11-23
• IN VIVO AND IN VITRO OLEFIN CYCLOPROPANATION CATALYZED BY HEME ENZYMES
  申请人：California Institute of Technology

  公开号：US20170247725A1

  公开（公告）日：2017-08-31

  The present invention provides methods for catalyzing the conversion of an olefin to any compound containing one or more cyclopropane functional groups using heme enzymes. In certain aspects, the present invention provides a method for producing a cyclopropanation product comprising providing an olefinic substrate, a diazo reagent, and a heme enzyme; and admixing the components in a reaction for a time sufficient to produce a cyclopropanation product. In other aspects, the present invention provides heme enzymes including variants and fragments thereof that are capable of carrying out in vivo and in vitro olefin cyclopropanation reactions. Expression vectors and host cells expressing the heme enzymes are also provided by the present invention.