3-羟基辛醛 | 96189-01-4

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 中文名称: 3-羟基辛醛
• 英文名称: 3-Hydroxyoctanal
• CAS: 96189-01-4
• 化学式: C₈H₁₆O₂
• 分子量: 144.214
• InChiKey: ZFLQRMNQASYFSB-UHFFFAOYSA-N

物化性质

• 沸点：
  223.7±23.0 °C(Predicted)
• 密度：
  0.925±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  10
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-羟基辛醛 在 4-甲基苯磺酸吡啶 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 34.0h， 生成 2,2-dimethyl-4-pentyl-6-prop-2-enyl-1,3-dioxane
  参考文献：
  名称：

  FeCl3·6H2O-catalyzed synthesis of substituted cis-2,6-tetrahydropyrans from ζ-hydroxy allylic derivatives

  摘要：

  A highly diastereoselective iron-catalyzed synthesis of substituted cis-2,6-tetrahydropyrans from zeta-hydroxy allylic derivatives is described. The FeCl3 center dot 6H(2)O-induced epimerization of the formed 2-alkenyl 6-substituted tetrahydropyrans is the key reaction to account for the high diastereoselectivities observed. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2011.03.112
• 作为产物：
  描述：

  烯丙基正戊基甲醇 在 sodium periodate 、 四氧化锇 、 N-甲基吗啉氧化物 作用下， 以 四氢呋喃 、 水 、 叔丁醇 为溶剂， 反应 8.0h， 生成 3-羟基辛醛
  参考文献：
  名称：

  FeCl3·6H2O-catalyzed synthesis of substituted cis-2,6-tetrahydropyrans from ζ-hydroxy allylic derivatives

  摘要：

  A highly diastereoselective iron-catalyzed synthesis of substituted cis-2,6-tetrahydropyrans from zeta-hydroxy allylic derivatives is described. The FeCl3 center dot 6H(2)O-induced epimerization of the formed 2-alkenyl 6-substituted tetrahydropyrans is the key reaction to account for the high diastereoselectivities observed. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2011.03.112

文献信息

• [EN] METHODS FOR PRODUCING 3-HYDROXY-3-METHYLBUTYRIC ACID<br/>[FR] PROCÉDÉS POUR PRODUIRE DE L'ACIDE 3-HYDROXY-3-MÉTHYLBUTYRIQUE
  申请人：GLOBAL BIOENERGIES

  公开号：WO2016042012A1

  公开（公告）日：2016-03-24

  Described is a method for the conversion of 3-methylcrotonyl-CoA into 3-hydroxy-3- methylbutyric acid comprising the steps of: (a) enzymatically converting 3-methylcrotonyl-CoA into 3-hydroxy-3-methylbutyryl-CoA; and (b) further enzymatically converting the thus produced 3-hydroxy-3-methylbutyryl-CoA into 3-hydroxy-3-methylbutyric acid wherein the enzymatic conversion of 3-hydroxy-3-methylbutyryl-CoA into 3-hydroxy-3-methylbutyric acid according to step (b) is achieved by first converting 3-hydroxy-3-methylbutyryl-CoA into 3-hydroxy-3-methylbutyryl phosphate and then subsequently converting the thus produced 3-hydroxy-3-methylbutyryl phosphate into 3-hydroxy-3-methylbutyric acid.

  描述了一种将3-甲基丙酰辅酶A转化为3-羟基-3-甲基丁酸的方法，包括以下步骤：(a)将3-甲基丙酰辅酶A酶促转化为3-羟基-3-甲基丁酰辅酶A；(b)进一步将所产生的3-羟基-3-甲基丁酰辅酶A酶促转化为3-羟基-3-甲基丁酸，其中根据步骤(b)将3-羟基-3-甲基丁酰辅酶A酶促转化为3-羟基-3-甲基丁酸的方法是首先将3-羟基-3-甲基丁酰辅酶A转化为3-羟基-3-甲基丁酰磷酸，然后随后将所产生的3-羟基-3-甲基丁酰磷酸转化为3-羟基-3-甲基丁酸。
• [EN] PEPTIDE COMPOUNDS<br/>[FR] COMPOSÉS PEPTIDIQUES
  申请人：ULTUPHARMA AB

  公开号：WO2020046190A1

  公开（公告）日：2020-03-05

  The present invention relates to novel compounds, which presents a peptide structure and an unexpected antibacterial effect even against certain multiresistant bacteria. The compounds may becyclic peptides, sometimes depsipeptides, ornon-ring-closed peptides, asdefined by Formula (I). Further, the invention relates to the medical use of the herein claimed compounds, a method for the production of the compounds as well as a method of treatment including the compounds. In addition, the invention relates to a pharmaceutical preparation comprising one or more of the herein described and claimed compounds combined with suitable carrier(s) and/or adjuvant(s). Finally, the invention is the use of one or more of the claimed compounds in a method for decolonization of a surface of Gram-positive and/or Gram-negative bacteria.

  本发明涉及一种新型化合物，其具有肽结构并且具有出乎意料的抗菌效果，甚至对某些多重耐药细菌也有效。这些化合物可能是环肽，有时是脱氨肽，或者是非环闭合肽，如公式（I）所定义。此外，本发明涉及所述化合物的医药用途，一种生产该化合物的方法以及包括该化合物的治疗方法。此外，本发明还涉及一种制药制剂，其中包括一种或多种所述化合物，结合适当的载体和/或辅料。最后，本发明是利用一种或多种所述化合物在去除革兰氏阳性和/或阴性细菌表面的方法中的应用。
• Thieme Chemistry Journal Awardees - Where Are They Now? Aldol Synthesis by anti-Markovnikov Hydration of Propargyloxy Substrates: Feasibility, Stereospecifity, and Reiterative Alkynylation-Hydration
  作者：Lukas Hintermann、Thomas Kribber、Aurélie Labonne、Eva Paciok

  DOI：10.1055/s-0029-1217734

  日期：2009.9

  Aldol derivatives have been synthesized by redox-neutral catalytic anti-Markovnikov hydration of propargyloxy substrates. A reiterative sequence of aldehyde alkynylation and alkyne hydration leads to 1,3-polyol derivatives.

  通过氧化还原中性催化的反马克诺夫水合反应合成了醛醇衍生物。醛的炔基化和炔烃水合的重复序列导致了1,3-多醇衍生物的形成。
• Hydration of terminal alkynes to aldehydes in aqueous micellar solutions by ruthenium(II) catalysis; first anti-Markovnikov addition of water to propargylic alcohols
  作者：Patricia Alvarez、Mauro Bassetti、José Gimeno、Giovanna Mancini

  DOI：10.1016/s0040-4039(01)01841-x

  日期：2001.11

  The hydration of terminal alkynes and of propargylic alcohols to the corresponding aldehyde derivatives is conveniently carried out at 60°C in an aqueous micellar environment, in the presence of 5 mol% of the indenyl ruthenium(II) complex [Ru(η5-C9H7)Cl(PPh3)2]. Higher yields and improved regioselectivity of aldehyde versus ketone as well as reaction conditions, in particular temperature and catalyst

  末端炔烃和炔丙醇的为相应的醛衍生物的水合反应是在水性胶束环境在60℃下方便地进行，在5％（摩尔）的茚基钌的存在下（Ⅱ）络合物的[Ru（η 5 -C 9 H 7）Cl（PPh 3）2 ]。由于胶束溶液的聚集条件，相对于2-丙醇-水混合溶剂，发现醛相对于酮具有更高的产率和更高的醛选择性以及反应条件，特别是温度和催化剂负载量。炔丙醇的反应表明钌配合物对羟基官能度的耐受性。
• [EN] ENZYMATIC PRODUCTION OF ACRYLYL-COA OR ETHYLENE FROM GLYCEROL<br/>[FR] PRODUCTION ENZYMATIQUE D'ACRYLYL-COA OU D'ÉTHYLÈNE À PARTIR DE GLYCÉROL
  申请人：GLOBAL BIOENERGIES

  公开号：WO2016097289A1

  公开（公告）日：2016-06-23

  Described is a method for the production of acrylyl-CoA from glycerol comprising the following steps: (a) the enzymatic conversion of glycerol into 3-hydroxypropionaldehyde; (b) the enzymatic conversion of said 3-hydroxypropionaldehyde into 3-hydroxypropionyl-CoA; and (c) the enzymatic conversion of said 3-hydroxypropionyl-CoA into acrylyl-CoA. Further enzymatic conversion of acrylyl-CoA into other products are disclosed. Further described is a method for the production of ethylene comprising the enzymatic conversion of propionic acid into ethylene. It is described that the enzymatic conversion of propionic acid into ethylene can be achieved by making use of a cytochrome P450 fatty acid decarboxylase or a non-heme iron oxygenase. Further, it is described that said propionic acid can be obtained by the enzymatic conversion of acrylyl-CoA into said propionic acid.

  描述了一种从甘油生产丙烯酰辅酶A的方法，包括以下步骤：(a) 将甘油酶转化为3-羟基丙醛；(b) 将所述3-羟基丙醛酶转化为3-羟基丙酰辅酶A；以及(c) 将所述3-羟基丙酰辅酶A酶转化为丙烯酰辅酶A。进一步披露了丙烯酰辅酶A的进一步酶转化为其他产品的方法。进一步描述了一种生产乙烯的方法，包括将丙酸酶转化为乙烯。描述了通过利用细胞色素P450脂肪酸脱羧酶或非血红素铁氧酶将丙酸酶转化为乙烯的方法。此外，还描述了通过将丙烯酰辅酶A酶转化为所述丙酸来获得所述丙酸的方法。