ethyl 2-formyldecanoate | 155780-77-1

• 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: ethyl 2-formyldecanoate
• CAS: 155780-77-1
• 化学式: C₁₃H₂₄O₃
• 分子量: 228.332
• InChiKey: FQQMELYSDGUFPA-UHFFFAOYSA-N

物化性质

• 沸点：
  297.3±23.0 °C(Predicted)
• 密度：
  0.934±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.12
• 重原子数：
  16.0
• 可旋转键数：
  10.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.85
• 拓扑面积：
  43.37
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  ethyl 2-formyldecanoate 在 sodium hydroxide 、 N-羟基-7-氮杂苯并三氮唑 、 sodium acetate 、 sodium cyanoborohydride 、 溶剂黄146 、 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 作用下， 以 甲醇 、 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 生成
  参考文献：
  名称：

  Structure–activity relationships of the peptide deformylase inhibitor BB-3497: modification of the methylene spacer and the P1′ side chain

  摘要：

  Structural modifications to the peptide deformylase inhibitor BB-3497 are described. In this paper, we describe the initial SAR around this lead for modifications to the methylene spacer and the P1' side chain. Enzyme inhibition and antibacterial activity data revealed that the optimum distance between the N-formyl hydroxylamine metal binding group and the P1' side chain is one unsubstituted methylene unit. Additionally, lipophilic P1' side chains that closely mimic the methionine residue in the substrate provided compounds with the best microbiological profile. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00532-8
• 作为产物：
  描述：

  癸酸乙酯 、 甲酸乙酯 在 sodium ethanolate 作用下， 生成 ethyl 2-formyldecanoate
  参考文献：
  名称：

  Structure–activity relationships of the peptide deformylase inhibitor BB-3497: modification of the methylene spacer and the P1′ side chain

  摘要：

  Structural modifications to the peptide deformylase inhibitor BB-3497 are described. In this paper, we describe the initial SAR around this lead for modifications to the methylene spacer and the P1' side chain. Enzyme inhibition and antibacterial activity data revealed that the optimum distance between the N-formyl hydroxylamine metal binding group and the P1' side chain is one unsubstituted methylene unit. Additionally, lipophilic P1' side chains that closely mimic the methionine residue in the substrate provided compounds with the best microbiological profile. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00532-8

文献信息

• Asymmetric Reduction of<i>β</i>-Keto Esters with an Enzyme from Bakers’ Yeast
  作者：Yasushi Kawai、Munekazu Tsujimoto、Shin-ichi Kondo、Kousuke Takanobe、Kaoru Nakamura、Atsuyoshi Ohno

  DOI：10.1246/bcsj.67.524

  日期：1994.2

  Various β-keto esters have been reduced by one of β-keto ester reductases isolated from bakers’ yeast. The corresponding β-hydroxy esters have been obtained in excellent enantiomeric and diastereomeric excesses, respectively. It has also been elucidated that the reductase recognizes the stereochemistry not only at the β-carbon but also at the α-carbon affording one of the four possible diastereoisomers

  各种 β-酮酯已被从面包酵母中分离出的一种 β-酮酯还原酶还原。相应的β-羟基酯分别以极好的对映体和非对映体过量获得。还阐明了还原酶不仅识别 β-碳上的立体化学，而且识别 α-碳上的立体化学，主要提供 α-取代的 β-羟基酯的四种可能的非对映异构体之一。立体选择性非常好，化学收率中等至良好。
• Kawai Yasushi, Tsujimoto Munekazu, Kondo Shin-ichi, Takanobe Kousuke, Nak+, Bull. Chem. Soc. Jap, 67 (1994) N 2, S 524-528
  作者：Kawai Yasushi, Tsujimoto Munekazu, Kondo Shin-ichi, Takanobe Kousuke, Nak+

  DOI：——

  日期：——
• SPENGLER, J. P.;SCHUNACK, W., ARCH. PHARM., 1984, 317, N 5, 425-430
  作者：SPENGLER, J. P.、SCHUNACK, W.

  DOI：——

  日期：——