Oxalsaeure-diheptylester | 20442-03-9

• 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: Oxalsaeure-diheptylester
• 英文别名: Diheptyl oxalate
• CAS: 20442-03-9
• 化学式: C₁₆H₃₀O₄
• 分子量: 286.412
• InChiKey: BODADHIQAXIHKU-UHFFFAOYSA-N

物化性质

• 沸点：
  353.7±11.0 °C(Predicted)
• 密度：
  0.955±0.06 g/cm3(Predicted)
• 保留指数：
  1911

计算性质

• 辛醇/水分配系数(LogP)：
  6.2
• 重原子数：
  20
• 可旋转键数：
  15
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  Oxalsaeure-diheptylester 、 苯乙腈 在 乙醚 、 sodium 作用下， 生成 3-cyano-2-oxo-3-phenyl-propionic acid heptyl ester
  参考文献：
  名称：

  The Condensation of Oxalic Esters with Benzyl Cyanide

  摘要：

  DOI：

  10.1021/ja01332a040

文献信息

• PROCESS FOR PREPARING DIARYL OXALATE
  申请人：Tanaka Shuji

  公开号：US20120296063A1

  公开（公告）日：2012-11-22

  Disclosed is a process for preparing a diaryl oxalate which comprises the step of transesterifying a dialkyl oxalate or/and an alkylaryl oxalate with an aryl alcohol in the presence of a tetra(aryloxy)titanium as a catalyst, wherein the tetra(aryloxy)titanium is fed into a reaction system of the transesterification as an aryl alcohol solution of the tetra(aryloxy)titanium which is prepared by reacting a tetraalkoxy titanium and an excess amount of the aryl alcohol and removing a by-producing alkyl alcohol.

  揭示了一种制备二芳基草酸酯的方法，包括在四(芳氧基)钛存在下，通过将二烷基草酸酯和/或烷基芳基草酸酯与芳基醇进行酯交换的步骤，其中四(芳氧基)钛以芳基醇溶液的形式加入酯交换的反应系统中，该芳基醇溶液是通过将四烷氧基钛和过量的芳基醇反应制备的，并去除生成的副产物烷基醇。
• PROCESS FOR PREPARING PYRIDINE-2,3-DICARBOXYLIC ACID COMPOUNDS
  申请人：SUGAI CHEMICAL INDUSTRY CO., LTD.

  公开号：EP0357792A1

  公开（公告）日：1990-03-14

  A pyridine-2,3-dicarboxylic acid compound represented by general formula (I) (wherein R' and R2 may be the same or different and each represents a lower alkyl group, and R3 represents a hydrogen atom or a lower alkyl group) is prepared by reacting an alkali metal salt of oxalacetic acid diester with an acid and a halogenating agent or reacting an oxalic acid diester with a haloacetic acid ester to obtain an α-halooxalacetic acid diester, and reacting the formed diester with a 2-propenal compound and ammonia. The obtained compounds are useful as intermediates for agricultural chemicals and medicines.

  通式(I)代表的吡啶-2,3-二羧酸化合物（其中 R'和 R2 可以相同或不同，各代表一个低级烷基、草酸二酯的碱金属盐与酸和卤化剂反应，或草酸二酯与卤乙酸酯反应，得到 α-卤代草酸二酯，再将形成的二酯与 2-丙烯醛化合物和氨反应，制备草酸二酯。得到的化合物可用作农用化学品和药物的中间体。
• Resin composition curable at low temperature
  申请人：NIPPON PAINT CO., LTD.

  公开号：EP0387831A2

  公开（公告）日：1990-09-19

  Disclosed is a resin composition curable at low temperature comprising, (A) epoxy resins having an epoxy equivalence of 100 to 4,000; (B) α-ketoester compounds expressed by the following formula; R-(X---O-R₁) [wherein R is an organic group having a molecular weight of 1 to 100,000, X is a carbon, oxygen- or sulfur atom and -NR₂, R₁ and R₂ are independently an alkyl-, alkenyl-, alkynyl-, aryl-, alalkyl-, alkaryl-, cychloalkyl- and heterocyclic group, and n is an integer of 1 or more.] and (C)polyamine compound or polyamide compound having a primary and/or secondary amino group; a solid weight ratio of the components (A) and (B) meeting the following relation; (A)/(B)=99/1 to 5/95 and an epoxy equivalent of the component (A), and α-ketoester equivalent of the component (B) and an active hydrogen equivalent of the component (C) meeting the following relation; (A)+(B)/(C)= 100/10 to 100/200.

  公开了一种可在低温下固化的树脂组合物，其中包括 (A) 环氧当量为 100 至 4000 的环氧树脂； (B) 下式表示的α-酮酯化合物； R-(X---O-R₁) [其中 R 是分子量为 1 至 100,000 的有机基团，X 是碳原子、氧原子或硫原子，-NR₂、R₁ 和 R₂ 独立地是烷基、烯基、炔基、芳基、烷基、芳烷基、烷芳基、环烷基和杂环基团，n 是 1 或 1 以上的整数。 (C) 具有伯氨基和/或仲氨基的多胺化合物或聚酰胺化合物； 成分(A)和(B)的固体重量比符合以下关系； (A)/(B)=99/1 至 5/95 组分(A)的环氧当量、组分(B)的α-酮酯当量和组分(C)的活性氢当量符合以下关系； (A)+(B)/(C)= 100/10 至 100/200。
• Azabicyclic compounds, process for their preparation and pharmaceutical compositions containing them
  申请人：Beecham Group p.l.c.

  公开号：EP0402056A2

  公开（公告）日：1990-12-12

  A compound of formula (I) or a pharmaceutically acceptable salt thereof: in which one of X and Y represents hydrogen and the other represents Z, where Z is a group in which Q represents a 3-membered divalent residue completing a 5-membered aromatic ring and comprises two or three nitrogen atoms, any amino nitrogen being substituted by a C1-2 alkyl, cyclopropyl or propargyl group, r represents an integer of 2 or 3, s represents an integer of 1 or 2 and t represents 0 or 1, with the proviso that when Y is hydrogen s is 1.

  式 (I) 的化合物或其药学上可接受的盐： 其中 X 和 Y 的一个代表氢，另一个代表 Z，其中 Z 是一个基团 其中 Q 代表完成五元芳香环的三元二价残基，包含两个或三个氮原子，任何氨基氮均被 C1-2 烷基、环丙基或丙炔基取代，r 代表 2 或 3 的整数，s 代表 1 或 2 的整数，t 代表 0 或 1，但当 Y 为氢时，s 为 1。
• Azabicyclic Derivatives having muscarinic receptor affinity
  申请人：BEECHAM GROUP PLC

  公开号：EP0414394A2

  公开（公告）日：1991-02-27

  A pharmaceutical composition which comprises a compound of formula (I) or a pharmaceutically acceptable salt thereof: in which p is 1 and either m is 0 and n is 2 or 3 or m is 1 and n is 2, or p is 2, m is 0 and n is 2, and Z is a heterocyclic group in which Q represents a 3-membered divalent residue completing a 5-membered aromatic ring and comprises one or two heteroatoms selected from oxygen, nitrogen and sulphur, or three nitrogen atoms, any amino nitrogen being substituted by a C₁₋₂ alkyl, cyclopropyl or propargyl group, and any ring carbon atom being optionally substituted by a group R₁; or a group in which A₁, A₂ and A₃ complete a 5-membered aromatic ring and A₁ is oxygen or sulphur, one of A₂ and A₃ is CR₂ and the other is nitrogen or CR₃, or A₂ is oxygen or sulphur, one of A₁ and A₃ is CR₂ and the other is CR₃; and R₁, R₂ and R₃ are independently selected from hydrogen, halogen, N(R₄)₂, C₂₋₃ alkenyl, C₂₋₃ alkynyl or C₁₋₂ alkyl optionally substituted with one, two or three fluorine atoms, in which each R₄ is independently hydrogen or methyl, and a pharmaceutically acceptable carrier.

  一种药物组合物，包含式 (I) 的化合物或其药学上可接受的盐： 其中 p 为 1，m 为 0，n 为 2 或 3，或 m 为 1，n 为 2，或 p 为 2，m 为 0，n 为 2，Z 为杂环基团 其中 Q 代表完成 5 元芳香环的 3 元二价残基，包含 1 个或 2 个选自氧、氮和硫的杂原子，或 3 个氮原子，任何氨基氮被 C₁₋₂烷基、环丙基或丙炔基取代，任何环碳原子任选被基团 R₁ 取代；或一个基团 其中 A₁、A₂ 和 A₃ 构成一个 5 元芳香环，且 A₁ 为氧或硫、A₂ 和 A₃ 中的一个是 CR₂，另一个是氮或 CR₃，或者 A₂ 是氧或硫，A₁ 和 A₃ 中的一个是 CR₂，另一个是 CR₃；且 R₁、R₂ 和 R₃ 独立选自氢、卤素、N(R₄)₂、C₂₋₃ 烯基、C₂₋₃ 炔基或任选被一个取代的 C₁₋₂ 烷基、其中每个 R₄ 独立地为氢或甲基，以及药学上可接受的载体。