2,2-二甲基己二酸二甲酯 | 17219-21-5

• 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: 2,2-二甲基己二酸二甲酯
• 英文名称: dimethyl 1,1-dimethyladipate
• 英文别名: 2,2-dimethyl-adipic acid dimethyl ester；2,2-Dimethyl-adipinsaeure-dimethylester；α.α-Dimethyl-adipinsaeuredimethylester；Dimethyl 2,2-dimethylhexanedioate
• CAS: 17219-21-5
• 化学式: C₁₀H₁₈O₄
• 分子量: 202.251
• InChiKey: YVYILWKTNYRFHO-UHFFFAOYSA-N

物化性质

• 沸点：
  75-76 °C
• 密度：
  1.008±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  14
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 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：

  2,2-二甲基己二酸二甲酯 生成 methyl 3,3-dimethyl-2-oxocyclopentanecarboxylate
  参考文献：
  名称：

  Does the dieckmann condensation occur in the gas phase?

  摘要：

  AbstractBurinsky and Cooks1 have reported that deprotonated dimethyl adipate eliminates methanol via a gas‐phase Dieckmann condensation. This is in contrast to the behaviour of simple methyl ester enolates which lose MeOH by a different mechanism, e.g. MeOCOC̄HCH2R → [MeO(OCCHCH2R)] → OCCHC̄HR + MeOH. Evidence is presented which supports the Dieckmann mechanism for adipates. For example, MeOCOC̄(Me)CH2CH2CD(Me)CO2Me should eliminate MeOD in a Dieckmann condensation, but MeOH by the alternative mechanism outlined above. Experimentally, MeOD is lost exclusively. Similarly, MeOCOC̄DCH2CH2C(Me)2CO2Me also loses MeOD, consistent with a Dieckmann process.

  DOI：

  10.1002/oms.1210231008
• 作为产物：
  描述：

  重氮甲烷 、 2,2-dimethyladipic acid 在 乙醚 作用下， 生成 2,2-二甲基己二酸二甲酯
  参考文献：
  名称：

  Alberti, Gazzetta Chimica Italiana, 1956, vol. 86, p. 1195,1208

  摘要：

  DOI：

文献信息

• β-Carbonyl radicals as three-carbon building blocks for carbon-carbon bond forming reactions
  作者：Bernd Giese、Hans Horler

  DOI：10.1016/s0040-4020(01)97181-9

  日期：1985.1

  aldehydes, ketones and esters β-carbonyl radicals can be generated via enolization, cyclopropanation, solvomercuration and reduction with NaBH4. Radicals react with electron-poor alkenes to give products of CC-bond forming reactions (Tables 1–3). Carbonyl compounds are therefore precursors of three-carbon building blocks. The products result from reactions with “Umpolung”.

  通过醛化，环丙烷化，溶剂化和NaBH 4还原，可以从醛，酮和酯生成β-羰基自由基。自由基与贫电子烯烃反应生成CC键形成反应的产物（表1-3）。因此，羰基化合物是三碳构件的前体。产物来自与“ Umpolung”的反应。
• [EN] BRANCHED ADIPIC ACID BASED ESTERS AS NOVEL BASE STOCKS AND LUBRICANTS<br/>[FR] ESTERS À BASE D'ACIDE ADIPIQUE RAMIFIÉ UTILISÉS EN TANT QUE NOUVELLES HUILES DE BASE ET LUBRIFIANTS
  申请人：BASF SE

  公开号：WO2019110355A1

  公开（公告）日：2019-06-13

  The presently claimed invention is directed to the use of branched adipic acid esters as lubricants as well as lubricant compositions containing the branched adipic acid esters.

  目前所声称的发明涉及使用分支脂肪族己二酸酯作为润滑剂，以及包含分支脂肪族己二酸酯的润滑剂组合物。
• OPTICALLY ACTIVE ALPHA-SUBSTITUTED CARBOXYLIC ACID DERIVATIVE AND PROCESS FOR PRODUCING THE SAME
  申请人：MITSUBISHI RAYON CO., LTD.

  公开号：EP0765857A1

  公开（公告）日：1997-04-02

  The present invention relates to an optically active α-substituted carboxylic acid derivative represented by the general formula (I):    (wherein R1 is a hydroxyl group,    R2 is a methyl group or a chlorine atom; R3 is a hydrogen atom or an alkyl group with 1-6 carbon atoms; n is an integer of 1 or 2; and * represents an asymmetric carbon atom, provided that R2 is a chlorine atom when R1 is a hydroxyl group); and a method for producing the optically active α-substituted carboxylic acid derivative represented by the general formula (I) and antipodes thereof using a culture, cells or a material obtainable from cells of a microorganism having an ability to asymmetrically hydrolyze ester bonds. The optically active α-substituted carboxylic acid derivatives and antipodes thereof provided by the invention are useful as raw materials for various liquid crystals and as synthetic intermediates for various optically active medicines or agricultural chemicals.

  本发明涉及一种具有光学活性的α-取代的羧酸衍生物，由通式(I)代表： (其中 R1 是羟基、 R2为甲基或氯原子；R3为氢原子或含有1-6个碳原子的烷基；n为1或2的整数；*代表不对称碳原子，但当R1为羟基时，R2为氯原子)； 以及一种利用具有不对称水解酯键能力的微生物的培养物、细胞或可从细胞获得的材料生产通式（I）代表的光学活性α-取代的羧酸衍生物及其反式的方法。本发明提供的具有光学活性的 α-取代羧酸衍生物及其对映体可用作各种液晶的原料和各种具有光学活性的药物或农药的合成中间体。
• Schaafsma,S.E. et al., Recueil des Travaux Chimiques des Pays-Bas, 1968, vol. 87, p. 1301 - 1312
  作者：Schaafsma,S.E. et al.

  DOI：——

  日期：——
• YONEDA NORIHIKO; SUZUKI AKIRA; TAKAHASHI YUKIO, CHEM. LETT., 1981, NO 6, 767-768
  作者：YONEDA NORIHIKO、 SUZUKI AKIRA、 TAKAHASHI YUKIO

  DOI：——

  日期：——