2-辛基丙二酸 | 760-55-4

• 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: 2-辛基丙二酸
• 中文别名: 辛基丙二酸
• 英文名称: octylmalonic acid
• 英文别名: 2-n-octyl malonic acid；2-octylmalonic acid；Octyl-malonsaeure；octyl-propanedioic acid；nonane dicarboxylic acid；n-Octylmalonic acid；2-octylpropanedioic acid
• CAS: 760-55-4
• 化学式: C₁₁H₂₀O₄
• 分子量: 216.277
• InChiKey: QJGNSTCICFBACB-UHFFFAOYSA-N

物化性质

• 熔点：
  116°C
• 沸点：
  389.33°C (rough estimate)
• 密度：
  1.1730
• 溶解度：
  0.00 M

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  15
• 可旋转键数：
  9
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.82
• 拓扑面积：
  74.6
• 氢给体数：
  2
• 氢受体数：
  4

安全信息

• 海关编码：
  2917190090

反应信息

• 作为反应物：
  描述：

  2-辛基丙二酸 生成 正癸酸
  参考文献：
  名称：

  Clutterbuck; Raistrick; Rintoul, 1931, vol. 220, p. 327

  摘要：

  DOI：
• 作为产物：
  描述：

  ethyl 2-cyanodecanoate 生成 2-辛基丙二酸
  参考文献：
  名称：

  865.自由基加成的综合方面。第一部分丙二酸酯和相关化合物的自由基烷基化

  摘要：

  DOI：

  10.1039/jr9620004468

文献信息

• Preparation of mono-substituted malonic acid half oxyesters (SMAHOs)
  作者：Tania Xavier、Sylvie Condon、Christophe Pichon、Erwan Le Gall、Marc Presset

  DOI：10.3762/bjoc.17.135

  日期：——

  The use of mono-substituted malonic acid half oxyesters (SMAHOs) has been hampered by the sporadic references describing their preparation. An evaluation of different approaches has been achieved, allowing to define the best strategies to introduce diversity on both the malonic position and the ester function. A classical alkylation step of a malonate by an alkyl halide followed by a monosaponification

  描述其制备的零星参考文献阻碍了单取代丙二酸半氧化酯 (SMAHO) 的使用。已经实现了对不同方法的评估，允许定义在丙二酸位置和酯功能上引入多样性的最佳策略。用烷基卤化物对丙二酸酯进行经典的烷基化步骤，然后进行单皂化，可以得到在丙二酸位置带有不同取代基的试剂，包括功能化衍生物。另一方面，取代丙二酸衍生物的单酯化步骤的开发被证明是酯功能多样性的最佳入口，而不是使用中间体 Meldrum 酸。这两种转换的特点是简单高效，
• Stereoselective preparation of lipidated carboxymethyl-proline/pipecolic acid derivatives via coupling of engineered crotonases with an alkylmalonyl-CoA synthetase
  作者：Refaat B. Hamed、Luc Henry、J. Ruben Gomez-Castellanos、Amina Asghar、Jürgen Brem、Timothy D. W. Claridge、Christopher J. Schofield

  DOI：10.1039/c3ob41525b

  日期：——

  The trisubstituted enolate- and C–C bond-forming capacities of engineered carboxymethylproline synthases CMPSs are coupled with the malonyl-CoA synthetase MatB to enable stereoselective preparation of 5- and 6-membered N-heterocycles functionalised with alkyl-substituted carboxymethyl side chains, starting from achiral alkyl-substituted malonic acids and L-amino acid semialdehydes. The results illustrate the biocatalytic utility of crotonases in tandem enzyme-catalysed reactions for stereoselective synthesis.

  工程化羧甲基脯氨酸合酶（CMPS）具有三取代烯醇化和C-C键形成能力，与丙二酰-CoA合成酶MatB偶联，可实现从非手性烷基取代的丙二酸和L-氨基酸半醛出发，选择性制备带有烷基取代羧甲基侧链的5-和6-元N-杂环。这些结果展示了利用裂解酶在串联酶催化反应中进行选择性合成生物催化的实用性。
• AROMATIC SUBSTITUTED METHANE-CORE MONOMERS AND POLYMERS THEREOF FOR VOLUME BRAGG GRATINGS
  申请人：Facebook Technologies, LLC

  公开号：US20210155584A1

  公开（公告）日：2021-05-27

  The disclosure provides recording materials including aromatic substituted methane-core derivatized monomers and polymers for use in volume Bragg gratings, including, but not limited to, volume Bragg gratings for holography applications. Several structures are disclosed for monomers and polymers for use in Bragg gratings applications leading to materials with higher refractive index, low birefringence, and high transparency. The disclosed derivatized monomers and polymers thereof can be used in any volume Bragg gratings materials, including two-stage polymer materials where a matrix is cured in a first step, and then the volume Bragg grating is written by way of a second curing step of a monomer.

  披露提供了包括芳香取代甲烷核衍生单体和聚合物在内的记录材料，用于体积布拉格光栅，包括但不限于用于全息应用的体积布拉格光栅。披露了用于布拉格光栅应用的单体和聚合物的几种结构，导致具有较高折射率、低双折射和高透明度的材料。披露的衍生单体和聚合物可以用于任何体积布拉格光栅材料，包括两阶段聚合物材料，其中矩阵在第一步中固化，然后通过单体的第二次固化步骤编写布拉格光栅。
• AROMATIC SUBSTITUTED ALKANE-CORE MONOMERS AND POLYMERS THEREOF FOR VOLUME BRAGG GRATINGS
  申请人：Facebook Technologies, LLC

  公开号：US20210155599A1

  公开（公告）日：2021-05-27

  The disclosure provides recording materials including aromatic substituted alkane-core derivatized monomers and polymers for use in volume Bragg gratings, including, but not limited to, volume Bragg gratings for holography applications. Several structures are disclosed, including Formula I. When used in Bragg gratings applications, the monomers and polymers disclosed lead to materials with higher refractive index, low birefringence, and high transparency. The disclosed derivatized monomers and polymers can be used in any volume Bragg gratings materials, including two-stage polymer materials where a matrix is cured in a first step, and then the volume Bragg grating is written by way of a second curing step of a monomer.

  披露提供了包括芳香取代烷基核衍生单体和聚合物在内的记录材料，用于体积布拉格光栅，包括但不限于用于全息应用的体积布拉格光栅。披露了几种结构，包括式I。当在布拉格光栅应用中使用时，披露的单体和聚合物导致具有较高折射率、低双折射和高透明度的材料。披露的衍生单体和聚合物可用于任何体积布拉格光栅材料，包括两阶段聚合物材料，其中矩阵在第一步中固化，然后通过单体的第二次固化步骤编写布拉格光栅。
• Long-chain acyloins and vicinal diketones
  作者：D. E. Ames、G. Hall、B. T. Warren

  DOI：10.1039/j39680002617

  日期：——

  Several methods for the preparation of long-chain vicinal diketones are examined. The acyloin condensation, followed by oxidation, provides an excellent route to symmetrical compounds but is not satisfactory for unsymmetrical diketones. The latter are prepared (i) from dialkylacetylenes by semihydrogenation, hydroxylation, and oxidation with aqueous N-bromosuccinimide; and (ii) from an α-acetoxy-acid

  研究了制备长链邻二酮的几种方法。酰基转移酶缩合，然后进行氧化，提供了一种制备对称化合物的极佳途径，但对于不对称二酮而言并不令人满意。后者由（i）由二烷基乙炔经半氢化，羟基化和用N-溴代琥珀酰亚胺水溶液氧化而制得；（ii）由α-乙酰氧基酰氯和双四氢吡喃基或二苄基烷基丙二酸酯的钠衍生物衍生，然后除去保护基并脱羧得到α-乙酰氧基-酮，然后将其水解和氧化。