(-)-(2'R)-3-(tetrahydro-2'-furyl)propanoic acid | 71862-09-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氧唑烯
• 英文名称: (-)-(2'R)-3-(tetrahydro-2'-furyl)propanoic acid
• 英文别名: 3-[(2R)-oxolan-2-yl]propanoic acid
• CAS: 71862-09-4
• 化学式: C₇H₁₂O₃
• mdl: MFCD03412485
• 分子量: 144.17
• InChiKey: WUPHOULIZUERAE-ZCFIWIBFSA-N

物化性质

• 沸点：
  263.0±13.0 °C(Predicted)
• 密度：
  1.122±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  10
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  三氟乙酸酐 、 (-)-(2'R)-3-(tetrahydro-2'-furyl)propanoic acid 以 氯仿 为溶剂， 反应 1.0h， 以70%的产率得到(+)-(5R)-dihydro-5-(3'-trifluoroacetoxypropyl)-2(3H)-furanone
  参考文献：
  名称：

  Intramolecular acylative ring-switching reactions of 3-(tetrahydro-2′-furyl)propanoic acid derivatives to give butanolides: mechanism and scope

  摘要：

  当3-(四氢-2′-呋喃基)丙酸-三氟乙酸混合酐在酸催化剂的作用下生成二氢-5-(3′-三氟乙酰氧基丙基)-2(3H)-呋喃酮的机制被定义，并描述了一些潜在有用的丁内酯合成体的合成途径。

  DOI：

  10.1039/b301329b
• 作为产物：
  描述：

  四氢糠醇 在 吡啶 、 氢氧化钾 、 sodium ethanolate 作用下， 以 乙醇 为溶剂， 反应 26.0h， 生成 (-)-(2'R)-3-(tetrahydro-2'-furyl)propanoic acid
  参考文献：
  名称：

  Intramolecular acylative ring-switching reactions of 3-(tetrahydro-2′-furyl)propanoic acid derivatives to give butanolides: mechanism and scope

  摘要：

  当3-(四氢-2′-呋喃基)丙酸-三氟乙酸混合酐在酸催化剂的作用下生成二氢-5-(3′-三氟乙酰氧基丙基)-2(3H)-呋喃酮的机制被定义，并描述了一些潜在有用的丁内酯合成体的合成途径。

  DOI：

  10.1039/b301329b

文献信息

• A group of esterases for the enantioselective production of fine and speciality chemicals
  申请人：B.R.A.I.N. Biotechnology Research And Information Network AG

  公开号：EP2377930A1

  公开（公告）日：2011-10-19

  The present invention relates to a polynucleotide consisting of more than 30 nucleotides encoding an enzyme having carboxylesterase [E.C. 3.1.1.1] activity, wherein the coding sequence is selected from the group consisting of (a) a polynucleotide encoding an amino acid sequence as depicted in SEQ ID NO: 6; (b) a polynucleotide consisting of or comprising a nucleotide sequence, wherein the nucleic acid sequence is as shown in SEQ ID NO: 5; (c) a polynucleotide consisting of or comprising a nucleotide sequence encoding a fragment or derivative of an enzyme encoded by a polynucleotide of (a) or (b), wherein in said derivative one amino acid residue is conservatively substituted compared to the amino acid sequence of (a); (d) a polynucleotide encoding an enzyme having carboxylesterase activity which polynucleotide is at least 66% identical to a polynucleotide encoding an enzyme as shown in SEQ ID NO: 5; (e) a polynucleotide consisting of or comprising a nucleotide sequence the complementary strand of which hybridizes under stringent conditions to a polynucleotide as defined in any one of (a) to (b); and (f) a polynucleotide consisting of or comprising a nucleotide sequence being degenerate to the nucleotide sequence of the polynucleotide of (e); or the complementary strand of such a polynucleotide of (a) to (f).

  本发明涉及一种由 30 个以上核苷酸组成的多核苷酸，该多核苷酸编码一种具有羧基酯酶[E.C. 3.1.1.1]活性的酶的多核苷酸，其中编码序列选自由 SEQ ID NO: 6 所示的氨基酸序列的多核苷酸组成的组；(b) 由核苷酸序列组成或包含核苷酸序列的多核苷酸，其中核酸序列如 SEQ ID NO：5中所示；(c)由编码(a)或(b)的多核苷酸编码的酶的片段或衍生物的核苷酸序列组成或包含该核苷酸序列的多核苷酸，其中在所述衍生物中，与(a)的氨基酸序列相比，一个氨基酸残基被保守取代；(d) 编码具有羧基酯酶活性的酶的多核苷酸，该多核苷酸与 SEQ ID NO：5；(e)由核苷酸序列组成或包含核苷酸序列的多核苷酸，其互补链在严格条件下与(a)至(b)中任一项所定义的多核苷酸杂交；和(f)由核苷酸序列组成或包含与(e)的多核苷酸的核苷酸序列退化的核苷酸序列的多核苷酸；或(a)至(f)的这种多核苷酸的互补链。
• A GROUP OF ESTERASES FOR THE ENANTIOSELECTIVE PRODUCTION OF FINE AND SPECIALITY CHEMICALS
  申请人：B.R.A.I.N. Biotechnology Research And Information Network AG

  公开号：EP2013337B1

  公开（公告）日：2013-03-27
• GROUP OF ESTERASES FOR THE ENANTIOSELECTIVE PRODUCTION OF FINE AND SPECIALITY CHEMICALS
  申请人：Liebeton Klaus

  公开号：US20090311745A1

  公开（公告）日：2009-12-17

  The present invention relates to a polynucleotide encoding an enzyme having carboxylesterase [E.C. 3.1.1.1] activity, wherein the coding sequence is selected from the group consisting of (a) a polynucleotide encoding an amino acid sequence as depicted in any one of SEQ ID NOs: 2, 4, 6, 8, 10 and 12; (b) a polynucleotide having or comprising a nucleotide sequence encoding an enzyme, wherein the nucleic acid sequence is as shown in any one of SEQ ID NOs: 1, 3, 5, 7, 9 and 11; (c) a polynucleotide having or comprising a nucleotide sequence encoding a fragment or derivative of an enzyme encoded by a polynucleotide of (a) or (b), wherein in said derivative one or more amino acid residues are conservatively substituted compared to the amino acid sequence of (a); (d) a polynucleotide encoding an enzyme having carboxylesterase activity which polynucleotide is at least 66% identical to a polynucleotide encoding an enzyme as shown in one of SEQ ID NOs: 2, 4, 6, 8, 10 and 12; (e) a polynucleotide having or comprising a nucleotide sequence the complementary strand of which hybridizes to a polynucleotide as defined in any one of (a) to (d); and (f) a polynucleotide having or comprising a nucleotide sequence being degenerate to the nucleotide sequence of the polynucleotide of (d) or (e); or the complementary strand of such a polynucleotide of (a) to (f) or fragments thereof useful as specific probes or primers. The present invention also relates to a host genetically engineered with the polynucleotide of the present invention or the vector of the present invention. The present invention also relates to a process for producing a polypeptide having carboxylesterase [E.C. 3.1.1.1] activity, comprising culturing the host of the present invention and recovering the polypeptide produced by said host. Moreover, The present invention also relates to a process for producing bacteria or eukaryotic cells capable of expressing a polypeptide having carboxylesterase [E.C. 3.1.1.1] activity, the process comprising genetically engineering bacteria or eukaryotic cells with the vector of the present invention. Finally, the present invention relates to (poly)peptides, antibodies, compositions and various methods for the production of optically active compounds.
• US9193961B2
  申请人：——

  公开号：US9193961B2

  公开（公告）日：2015-11-24
• Intramolecular acylative ring-switching reactions of 3-(tetrahydro-2′-furyl)propanoic acid derivatives to give butanolides: mechanism and scope
  作者：David H. Grayson、Úna McCarthy、Edwin D. Roycroft

  DOI：10.1039/b301329b

  日期：——

  The mechanism by which dihydro-5-(3′-trifluoroacetoxypropyl)-2(3H)-furanone is formed when 3-(tetrahydro-2′-furyl)propanoic-trifluoroacetic mixed anhydride is treated with an acidic catalyst is defined, and routes to some potentially useful butanolide synthons are described.

  当3-(四氢-2′-呋喃基)丙酸-三氟乙酸混合酐在酸催化剂的作用下生成二氢-5-(3′-三氟乙酰氧基丙基)-2(3H)-呋喃酮的机制被定义，并描述了一些潜在有用的丁内酯合成体的合成途径。