((S)-1-methyl-butyl)-malonic acid | 118870-82-9

• 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: ((S)-1-methyl-butyl)-malonic acid
• 英文别名: ((S)-1-Methyl-butyl)-malonsaeure；(S)-2-methylpentane dicarboxylic acid；2-[(2S)-pentan-2-yl]propanedioic acid
• CAS: 118870-82-9
• 化学式: C₈H₁₄O₄
• 分子量: 174.197
• InChiKey: OITPUWHNBIFUJQ-YFKPBYRVSA-N

物化性质

• 熔点：
  88-89 °C
• 沸点：
  131-133 °C(Press: 20 Torr)
• 密度：
  1.156±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  12
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  74.6
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  ((S)-1-methyl-butyl)-malonic acid 生成 (S)-3-甲基己酸
  参考文献：
  名称：

  Branched-Chain Fatty Acids. XVI. Synthesis of the Optical Isomers of 15-Methyloctadecanoic Acid¹

  摘要：

  DOI：

  10.1021/ja01166a095
• 作为产物：
  描述：

  (S)-diethyl (1-methylbutyl)malonate 在 氢氧化钾 作用下， 生成 ((S)-1-methyl-butyl)-malonic acid
  参考文献：
  名称：

  Branched-Chain Fatty Acids. XVI. Synthesis of the Optical Isomers of 15-Methyloctadecanoic Acid¹

  摘要：

  DOI：

  10.1021/ja01166a095

文献信息

• Method for the Production of Optically Active 3-Alkyl Carboxylic Acids and the Intermediate Products Thereof
  申请人：Sorger Klas

  公开号：US20070225519A1

  公开（公告）日：2007-09-27

  An enantioselective method for producing optically active 3-alkyl carboxylic acids comprises transforming an optically active secondary alcohol into an optically active, activated compound by introducing a leaving group; reacting the activated compound with a malonic acid derivative to obtain an optically active, alkylated malonic acid compound, the reaction taking place exclusively in ether and/or carboxylic acid ester solvents and one or more aprotic polar solvents or alcohols as a cosolvent in a maximum proportion of 30 volume percent of total solvent, wherein the added cosolvent is not hexamethyl phosphoric acid triamide; the malonic acid compound is hydrolyzed if necessary to obtain the corresponding acid; and the corresponding acid is decarboxylated.

  一种产生光学活性3-烷基羧酸的对映选择性方法包括将光学活性的次级醇转化为光学活性的活化化合物，方法是引入一个离去基；将活化的化合物与丙二酸衍生物反应，以获得光学活性的烷基化丙二酸化合物，反应仅在醚和/或羧酸酯溶剂中进行，并且添加一种或多种无水极性溶剂或醇作为共溶剂，最大比例为总溶剂的30体积百分比，其中添加的共溶剂不是六甲基膦酰胺；必要时，对丙二酸化合物进行水解以获得相应的酸；并且通过脱羧反应获得相应的酸。
• Tertiary phosphine compound and transition metal complex comprising the
  申请人：Sumitomo Chemical Co., Ltd.

  公开号：US05523437A1

  公开（公告）日：1996-06-04

  A tertiary phosphine compound of the formula (1): ##STR1## wherein R.sup.1 and R.sup.2 represent independently from each other a hydrogen atom or a methyl group, or together form --CH.dbd.CH--CH.dbd.CH--; R.sup.3 is a hydrogen atom or a cycloalkyl group having 5 to 7 carbon atoms or a lower alkyl group which may be substituted with a halogen atom, a lower alkoxy group, a lower alkoxyalkoxy group or a phenyl group; X.sup.1 is a halogen atom when both R.sup.1 and R.sup.2 are hydrogen atoms, or a hydrogen atom, a halogen atom, a lower alkyl group or a lower alkoxy group when at least one of R.sup.1 and R.sup.2 is not a hydrogen atoms; and m is an integer of 1 to 5, which is useful as a ligand of a transition metal complex that can catalyze various reactions.

  一种三级膦化合物的化学式（1）：##STR1## 其中R.sup.1和R.sup.2分别独立地表示氢原子或甲基基团，或者共同形成--CH.dbd.CH--CH.dbd.CH--; R.sup.3是氢原子或具有5至7个碳原子的环烷基团或低级烷基基团，该低级烷基基团可以被卤素原子，低级烷氧基团，低级烷氧基烷氧基团或苯基取代；当R.sup.1和R.sup.2都是氢原子时，X.sup.1是卤素原子，或者当R.sup.1和R.sup.2中至少有一个不是氢原子时，X.sup.1是氢原子，卤素原子，低级烷基基团或低级烷氧基团；m是1至5的整数，它是一种过渡金属配合物的配体，可以催化各种反应。
• Method For Producing Alcohol and Carboxylic Acid Having Optical Activity
  申请人：Dekishima Yasumasa

  公开号：US20080233621A1

  公开（公告）日：2008-09-25

  It is an object of the present invention to provide an inexpensive and efficient industrial method for obtaining (S)-2-pentanol, (S)-2-hexanol, 1-methylalkyl malonic acid and 3-methyl carboxylic acid at a high optical purity. The present invention provides a method of producing (S)-2-pentanol or (S)-2-hexanol which comprises allowing certain types of microorganisms or transformed cells, a product obtained by treating said microorganisms or cells, a culture solution of said microorganisms or cells, and/or a crude purified product or purified product of a carbonyl reductase fraction obtained from said microorganisms or cells, to act on 2-pentanone or 2-hexanone.

  本发明的目的是提供一种廉价高效的工业方法，用于高光学纯度地获得(S)-2-戊醇、(S)-2-己醇、1-甲基烷基丙二酸和3-甲基羧酸。本发明提供了一种生产(S)-2-戊醇或(S)-2-己醇的方法，其包括让某些类型的微生物或转化细胞、经处理后得到的产物、上述微生物或细胞的培养液，和/或从上述微生物或细胞中获得的羰基还原酶分数的粗提纯产物或纯化产物作用于2-戊酮或2-己酮。
• Tertiary phosphine compound and transition metal complex comprising the same as ligand
  申请人：SUMITOMO CHEMICAL COMPANY, LIMITED

  公开号：EP0647647A1

  公开（公告）日：1995-04-12

  A tertiary phosphine compound of the formula (1): wherein R¹ and R² represent independently from each other a hydrogen atom or a methyl group, or together form -CH=CH-CH=CH-; R³ is a hydrogen atom or a cycloalkyl group having 5 to 7 carbon atoms or a lower alkyl group which may be substituted with a halogen atom, a lower alkoxy group, a lower alkoxyalkoxy group or a phenyl group; X¹ is a halogen atom when both R¹ and R² are hydrogen atoms, or a hydrogen atom, a halogen atom, a lower alkyl group or a lower alkoxy group when at least one of R¹ and R² is not a hydrogen atoms; and m is an integer of 1 to 5, which is useful as a ligand of a transition metal complex that can catalyze various reactions.

  式 (1) 的叔膦化合物： 其中 R¹ 和 R² 各自代表氢原子或甲基，或共同组成-CH=CH-CH=CH-；R³ 是氢原子或具有 5 至 7 个碳原子的环烷基或可被卤素原子、低级烷氧基、低级烷氧基烷氧基或苯基取代的低级烷基；当 R¹ 和 R² 都是氢原子时，X¹ 是卤素原子；当 R¹ 和 R² 中至少一个不是氢原子时，X¹ 是氢原子、卤素原子、低级烷基或低级烷氧基；以及 m 是 1 至 5 的整数，可用作过渡金属配合物的配位体，催化各种反应。
• PROCESS FOR PRODUCING OPTICALLY ACTIVE ALCOHOL AND CARBOXYLIC ACID
  申请人：API Corporation

  公开号：EP1712630A1

  公开（公告）日：2006-10-18

  It is an object of the present invention to provide an inexpensive and efficient industrial method for obtaining (S)-2-pentanol, (S)-2-hexanol, 1-methylalkyl malonic acid and 3-methyl carboxylic acid at a high optical purity. The present invention provides a method of producing (S)-2-pentanol or (S)-2-hexanol which comprises allowing certain types of microorganisms or transformed cells, a product obtained by treating said microorganisms or cells, a culture solution of said microorganisms or cells, and/or a crude purified product or purified product of a carbonyl reductase fraction obtained from said microorganisms or cells, to act on 2-pentanone or 2-hexanone.

  本发明的目的是提供一种廉价高效的工业方法，以获得高光学纯度的(S)-2-戊醇、(S)-2-己醇、1-甲基烷基丙二酸和3-甲基羧酸。本发明提供了一种生产(S)-2-戊醇或(S)-2-己醇的方法，该方法包括让某些类型的微生物或转化细胞、通过处理所述微生物或细胞获得的产物、所述微生物或细胞的培养液和/或粗提纯产物或从所述微生物或细胞中获得的羰基还原酶部分的提纯产物作用于2-戊酮或2-己酮。