3-Methyl-buten-(2)-thiosaeure-S-methylester | 13102-37-9

• 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: 3-Methyl-buten-(2)-thiosaeure-S-methylester
• 英文别名: 3,3-Dimethyl-thioacrylsaeure-S-methylester；S-Methyl 3-methylbut-2-enethioate；S-methyl 3-methylbut-2-enethioate
• CAS: 13102-37-9
• 化学式: C₆H₁₀OS
• 分子量: 130.211
• InChiKey: KHDGDIILCDEONC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  8
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  42.4
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  2-methyl-4,4-bis-methylsulfanyl-but-3-en-2-ol 在 对甲苯磺酸 作用下， 以 苯 为溶剂， 生成 3-Methyl-buten-(2)-thiosaeure-S-methylester 、 2-Methylmercapto-2-methyl-thiobuttersaeure-S-methylester
  参考文献：
  名称：

  Saquet,M., Comptes Rendus des Seances de l'Academie des Sciences, Serie C: Sciences Chimiques, 1968, vol. 266, p. 820 - 821

  摘要：

  DOI：

文献信息

• Synthesis of isoprenoids and derivatives
  申请人：William Marsh Rice University

  公开号：US11046978B2

  公开（公告）日：2021-06-29

  This disclosure generally relates to the use of enzyme combinations or recombinant microbes comprising same to make isoprenoid precursors, isoprenoids and derivatives thereof including prenylated aromatic compounds. Novel metabolic pathways exploiting Claisen, aldol, and acyioin condensations are used instead of the natural mevalonate (MVA) pathway or 1-deoxy-d-xylulose 5-phosphate (DXP) pathways for generating isoprenoid precursors such as isopentenyl pyrophosphate (IPP), dimethylallyl pyrophosphate (DMAPP), and geranyl pyrophosphate (GPP). These pathways have the potential for better carbon and or energy efficiency than native pathways. Both decarboxylative and non-carboxylative condensations are utilized, enabling product synthesis from a number of different starting compounds. These condensation reactions serve as a platform for the synthesis of isoprenoid precursors when utilized in combination with a variety of metabolic pathways and enzymes for carbon rearrangement and the addition/removal of functional groups. Isoprenoid alcohols are key intermediary products for the production of isoprenoid precursors in these novel synthetic metabolic pathways.

  本公开内容一般涉及使用酶组合或包含酶组合的重组微生物来制造异戊烯前体、异戊烯及其衍生物，包括前炔基芳香族化合物。利用克来森缩合、醛醇缩合和酰亚胺缩合的新型代谢途径取代了天然的甲羟戊酸（MVA）途径或 1-脱氧-d-木酮糖-5-磷酸（DXP）途径，用于生成焦磷酸异戊烯酯（IPP）、焦磷酸二甲基烯丙基酯（DMAPP）和焦磷酸香叶酯（GPP）等异戊烯前体。与原生途径相比，这些途径具有更高的碳效率和能量效率。利用脱羧和非羧缩合反应，可以从多种不同的起始化合物中合成产品。这些缩合反应可作为合成异戊二烯前体的平台，与各种代谢途径和酶结合使用，进行碳重排和官能团的添加/去除。在这些新型合成代谢途径中，异戊二烯醇是生产异戊二烯前体的关键中间产物。
• MICROBIAL SYNTHESIS OF ISOPRENOID PRECURSORS, ISOPRENOIDS AND DERIVATIVES INCLUDING PRENYLATED AROMATIC COMPOUNDS
  申请人：William Marsh Rice University

  公开号：US20190352679A1

  公开（公告）日：2019-11-21

  This disclosure generally relates to the use of enzyme combinations or recombinant microbes comprising same to make isoprenoid precursors, isoprenoids and derivatives thereof including prenylated aromatic compounds. Novel metabolic pathways exploiting Claisen, aldol, and acyioin condensations are used instead of the natural mevalonate (MVA) pathway or 1-deoxy-d-xylulose 5-phosphate (DXP) pathways for generating isoprenoid precursors such as isopentenyl pyrophosphate (IPP), dimethylallyl pyrophosphate (DMAPP), and geranyl pyrophosphate (GPP). These pathways have the potential for better carbon and or energy efficiency than native pathways. Both decarboxylative and non-carboxylative condensations are utilized, enabling product synthesis from a number of different starting compounds. These condensation reactions serve as a platform for the synthesis of isoprenoid precursors when utilized in combination with a variety of metabolic pathways and enzymes for carbon rearrangement and the addition/removal of functional groups. Isoprenoid alcohols are key intermediary products for the production of isoprenoid precursors in these novel synthetic metabolic pathways.
• US9017977B2
  申请人：——

  公开号：US9017977B2

  公开（公告）日：2015-04-28
• [EN] MICROBIAL SYNTHESIS OF ISOPRENOID PRECURSORS, ISOPRENOIDS AND DERIVATIVES INCLUDING PRENYLATED AROMATICS COMPOUNDS<br/>[FR] SYNTHÈSE MICROBIENNE DE PRÉCURSEURS D'ISOPRÉNOÏDES, D'ISOPRÉNOÏDES ET DE DÉRIVÉS COMPRENANT DES COMPOSÉS AROMATIQUES PRÉNYLÉS
  申请人：UNIV RICE WILLIAM M

  公开号：WO2017161041A1

  公开（公告）日：2017-09-21

  This disclosure generally relates to the use of enzyme combinations or recombinant microbes comprising same to make isoprenoid precursors, isoprenoids and derivatives thereof including prenylated aromatic compounds. Novel metabolic pathways exploiting Claisen, aldol, and acyioin condensations are used instead of the natural mevalonate (MVA) pathway or 1-deoxy-d-xylulose 5-phosphate (DXP) pathways for generating isoprenoid precursors such as isopentenyl pyrophosphate (IPP), dimethylallyl pyrophosphate (DMAPP), and geranyl pyrophosphate (GPP). These pathways have the potential for better carbon and or energy efficiency than native pathways. Both decarboxylative and non-carboxylative condensations are utilized, enabling product synthesis from a number of different starting compounds. These condensation reactions serve as a platform for the synthesis of isoprenoid precursors when utilized in combination with a variety of metabolic pathways and enzymes for carbon rearrangement and the addition/removal of functional groups. Isoprenoid alcohols are key intermediary products for the production of isoprenoid precursors in these novel synthetic metabolic pathways.
• Saquet,M., Comptes Rendus des Seances de l'Academie des Sciences, Serie C: Sciences Chimiques, 1968, vol. 266, p. 820 - 821
  作者：Saquet,M.

  DOI：——

  日期：——