ethyl 3,3-dicarbethoxyheptanoate | 67610-46-2

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: ethyl 3,3-dicarbethoxyheptanoate
• 英文别名: hexane-1,2,2-tricarboxylic acid triethyl ester；Hexan-1,2,2-tricarbonsaeure-triaethylester；triethyl hexane-1,2,2-tricarboxylate；1,2,2-tri(ethoxycarbonyl)hexane；2-Butyl-2-aethoxycarbonyl-bernsteinsaeure-diaethylester；1,2,2-Hexanetricarboxylic acid, triethyl ester
• CAS: 67610-46-2
• 化学式: C₁₅H₂₆O₆
• 分子量: 302.368
• InChiKey: HNUUNXXLZGBZIR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  21
• 可旋转键数：
  13
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  78.9
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  ethyl 3,3-dicarbethoxyheptanoate 在 盐酸 作用下， 生成 dibutyl 2-butylsuccinate
  参考文献：
  名称：

  Yanina,A.D.; Rubtsov,M.V., Journal of general chemistry of the USSR, 1960, vol. 30, p. 2527 - 2532

  摘要：

  DOI：
• 作为产物：
  描述：

  diethyl 2-butyl-2-[(Z)-2-methylsulfanyl-2-methylsulfinylethenyl]propanedioate 以63%的产率得到
  参考文献：
  名称：

  VEENSTRA G. E.; ZWANENBURG B., REC. TRAV. CHIM. , 1976, 95, NO 9, 202-205

  摘要：

  DOI：

文献信息

• BORON OR ALUMINUM COMPLEXES
  申请人：Armand Michel

  公开号：US20110171112A1

  公开（公告）日：2011-07-14

  The present invention relates to boron and aluminum complexes, to the preparation thereof, and to the use thereof for solubilizing ionic compounds. The complexes have one of the following formulae: in which D represents B or Al; R 1 represents R, R F , NO 2 , CN, C(═O)OR, RSO 2 , or R F SO 2 ; —X 1 —, —X 2 —, —X 3 — and X 4 each represent a divalent group >C═O, >C═NC≡N, >C═C(C≡N) 2 , >CR 2 R 3 or >SO 2 ; —Y 1 —, —Y 2 — and —Y 3 — each represent a divalent group —O—, >N(C≡N), >N(COR F ), >N(SO 2 R 4 ), >NR 4 , >N(COR 4 ) or >N(SO 2 R F ); R, R 2 and R 3 each represent H, an alkyl group, an aryl group, an alkylaryl group, an arylalkyl group, an oxaalkyl group or an alkenyl group; R 4 represents an alkyl group, an aryl group, an alkylaryl group, a heteroaryl group, an arylalkyl group, an oxaalkyl group, an alkenyl group or an R F CH 2 — group; R F is a perfluoroalkyl group, a partially fluorinated alkyl group, or a partially or totally fluorinated phenyl group; each of the R′ 2 and R′ 3 groups represents R or F.

  本发明涉及硼和铝配合物，其制备方法以及用于溶解离子化合物的用途。这些配合物具有以下公式之一： 其中D代表B或Al；R1代表R、RF、NO2、CN、C(═O)OR、RSO2或RF SO2；—X1—、—X2—、—X3—和X4每个代表一个二价基团>C═O、>C═NC≡N、>C═C(C≡N)2、>CR2R3或>SO2；—Y1—、—Y2—和—Y3—每个代表一个二价基团—O—、>N(C≡N)、>N(CORF)、>N(SO2R4)、>NR4、>N(COR4)或>N(SO2RF)；R、R2和R3每个代表H、烷基、芳基、烷基芳基、芳基烷基、氧代烷基或烯基；R4代表烷基、芳基、烷基芳基、杂芳基、芳基烷基、氧代烷基、烯基或RFCH2—基团；RF是全氟烷基、部分氟化烷基或部分或完全氟化苯基；R′2和R′3中的每个代表R或F。
• A one-pot radical addition/fragmentation route to ketones and esters
  作者：Michael G Roepel

  DOI：10.1016/s0040-4039(02)00169-7

  日期：2002.3

  A simple one-pot procedure has been developed that combines carboncarbon bond formation via a radical addition to either substituted enol ethers or ketene acetals, with a subsequent fragmentation reaction to yield ketones and esters. The ‘masked’ methyl carbonyl radical acceptors discovered in this work are either commercially available or easily prepared in one to two steps.

  已经开发出一种简单的一锅法，该方法将通过自由基加成到取代的烯醇醚或乙烯酮缩醛中而形成碳-碳键，然后进行裂解反应，生成酮和酯。在这项工作中发现的“被掩盖的”甲基羰基自由基受体可以商购获得，也可以一到两个步骤轻松制备。
• Polyalkylpiperidine derivatives
  申请人：Ciba-Geigy Corporation

  公开号：US04238613A1

  公开（公告）日：1980-12-09

  Polyalkylpiperidinylesters and N-polyalkylpiperidinylamides of substituted malonic acids, methane tricarboxylic acids, .beta.-keto-, .alpha.-cyano-, .alpha.-phosphono- or .alpha.-sulfonocarboxylic acids are excellent stabilizers for polymers, especially against photochemical degradation. Polymers which can be stabilized in this way very effectively are polyolefins, styrene homo- and copolymers, polyamides and polyurethanes.

  聚烷基哌啶酯和取代马隆酸、甲烷三羧酸、β-酮、α-氰基、α-膦酸或α-磺酸羧酸的N-聚烷基哌啶酰胺是聚合物的优秀稳定剂，特别是对光化学降解的稳定性。可以通过这种方式非常有效地稳定的聚合物包括聚烯烃、苯乙烯均聚物和共聚物、聚酰胺和聚氨酯。
• Inhibition of liver alcohol dehydrogenase and ethanol metabolism by 3-substituted thiolane 1-oxides
  作者：Vijay K. Chadha、Kevin G. Leidal、Bryce V. Plapp

  DOI：10.1021/jm00379a009

  日期：1985.1

  3-Substituted thiolane 1-oxides (methyl, n-butyl, n-hexyl, and phenyl) were prepared and tested as inhibitors of horse, monkey, and rat liver alcohol dehydrogenases and of ethanol metabolism in rats. These compounds inhibit alcohol oxidation in an uncompetitive manner with respect to ethanol as a varied substrate. Lengthening the alkyl substituent increased the inhibitory potency because of tighter binding in the hydrophobic substrate binding pocket of the alcohol dehydrogenases. Thus, the 3-hexyl derivative was the most potent inhibitor of the purified rat liver alcohol dehydrogenase, with a Kii value of 0.13 microM. The 3-butyl derivative was the best inhibitor of ethanol metabolism in rats, with a Kii value of 11 mumol/kg. The acute toxicity in mice of the butyl derivative was 1.4 mmol/kg. Since high concentrations of alcohol do not prevent the inhibitory effects of these compounds, they may be particularly useful for preventing poisoning by methanol or ethylene glycol.
• Scheibler; Rettig, Chemische Berichte, 1926, vol. 59, p. 1195
  作者：Scheibler、Rettig

  DOI：——

  日期：——