(3E)-3-tert-butoxyacrolein | 97336-95-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (3E)-3-tert-butoxyacrolein
• 英文别名: (E)-3-[(2-methylpropan-2-yl)oxy]prop-2-enal
• CAS: 97336-95-3
• 化学式: C₇H₁₂O₂
• 分子量: 128.171
• InChiKey: HJKIBCDKOXATSW-GQCTYLIASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  9
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  (3R,4R)-3-tert-Butoxy-4-((E)-2-tert-butoxy-vinyl)-[1,2]dioxetane 生成 (3E)-3-tert-butoxyacrolein
  参考文献：
  名称：

  CLENNAN E. L.; LEWIS K. K., J. ORG. CHEM., 51,(1986) N 19, 3721-3723

  摘要：

  DOI：

文献信息

• Tyrosine phosphatase inhibitors
  申请人：——

  公开号：US20030144338A1

  公开（公告）日：2003-07-31

  A compound of the formula (I): 1 wherein X 1 and X 2 are the same or different and each is a bond or a spacer having 1 to 20 atom(s) in the main chain; one of R 1 and R 2 is a cycle group having substituent(s) selected from 1) an optionally substituted carboxy-C 1-6 alkoxy group and 2) an optionally substituted carboxy-C 1-6 aliphatic hydrocarbon group, wherein the cycle group optionally has additional substituent(s), and the other is an optionally substituted cycle group or a hydrogen atom; and R 3 , R 4 and R 5 are the same or different and each is a hydrogen atom or a substituent, or R 4 may link together with R 3 or R 5 to form an optionally substituted ring; provided that when R 3 is a hydrogen atom, R 4 is a hydrogen atom and R 5 is methyl, X 2 —R 2 is not 4-cyclohexylphenyl; when R 3 is 4-methoxyphenyl, R 4 is a hydrogen atom and R 5 is methyl, X 2 —R 2 is not 4-methoxyphenyl; and when R 1 or R 2 is a hydrogen atom, the adjacent X 1 or X 2 is not a C 1-7 alkylene; or a salt thereof exhibits a protein tyrosine phosphatase inhibitory action and is useful as a prophylactic or therapeutic agent for diabetes or the like.

  式（I）的化合物： 其中X1和X2相同或不同，每个都是主链中具有1至20个原子的键或间隔物； R1和R2中的一个是具有取代基的环基，所述取代基选自1）可选择地取代的羧基-C1-6烷氧基和2）可选择地取代的羧基-C1-6脂肪烃基，其中所述环基可选择地具有额外的取代基，另一个是可选择地取代的环基或氢原子；以及 R3、R4和R5相同或不同，每个是氢原子或取代基，或R4可以与R3或R5结合形成可选择地取代的环； 但是当R3是氢原子时，R4是氢原子且R5是甲基时，X2—R2不是4-环己基苯基；当R3是4-甲氧基苯基，R4是氢原子且R5是甲基时，X2—R2不是4-甲氧基苯基；当R1或R2是氢原子时，相邻的X1或X2不是C1-7烷基； 或其盐具有蛋白酪氨酸磷酸酶抑制作用，并且可用作糖尿病等疾病的预防或治疗剂。
• Oxidation of terminal olefins to aldehydes
  申请人：UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION

  公开号：EP0506068A1

  公开（公告）日：1992-09-30

  A process for the oxidation of a compound having a terminal carbon-carbon double bond to produce the corresponding aldehyde is disclosed. In one embodiment, the process comprises contacting the compound with molecular oxygen in the presence of a Group VIII metal component initially substantially free of NO ligands and NO₂ ligands in an amount effective to promote the oxidation of the compound, a reoxidation component in an amount effective to reoxidize a reduced Group VIII metal component to the Group VIII metal component and at least one alcohol selected from secondary alcohols, tertiary alcohols and mixtures thereof in an amount effective to increase the aldehyde selectivity of the oxidation. The contacting occurs at conditions effective to oxidize the compound and form the corresponding aldehyde.

  本发明公开了一种氧化具有末端碳碳双键的化合物以生成相应醛的工艺。在一个实施方案中，该工艺包括在以下物质的存在下使化合物与分子氧接触：最初基本上不含 NO 配体和 NO₂ 配体的 VIII 族金属组分（其量可有效促进化合物的氧化）、再氧化组分（其量可有效将还原的 VIII 族金属组分再氧化为 VIII 族金属组分）和至少一种选自仲醇、叔醇及其混合物的醇（其量可有效增加氧化的醛选择性）。接触是在有效氧化化合物并形成相应醛的条件下进行的。
• TYROSINE PHOSPHATASE INHIBITORS
  申请人：Takeda Chemical Industries, Ltd.

  公开号：EP1284260A1

  公开（公告）日：2003-02-19

  A compound of the formula (I):    wherein X1 and X2 are the same or different and each is a bond or a spacer having 1 to 20 atom(s) in the main chain;    one of R1 and R2 is a cycle group having substituent(s) selected from 1) an optionally substituted carboxy-C1-6 alkoxy group and 2) an optionally substituted carboxy-C1-6 aliphatic hydrocarbon group, wherein the cycle group optionally has additional substituent(s), and the other is an optionally substituted cycle group or a hydrogen atom; and    R3, R4 and R5 are the same or different and each is a hydrogen atom or a substituent, or R4 may link together with R3 or R5 to form an optionally substituted ring;    provided that when R3 is a hydrogen atom, R4 is a hydrogen atom and R5 is methyl, X2-R2 is not 4-cyclohexylphenyl; when R3 is 4-methoxyphenyl, R4 is a hydrogen atom and R5 is methyl, X2-R2 is not 4-methoxyphenyl; and when R1 or R2 is a hydrogen atom, the adjacent X1 or X2 is not a C1-7 alkylene; or a salt thereof exhibits a protein tyrosine phosphatase inhibitory action and is useful as a prophylactic or therapeutic agent for diabetes or the like.

  式(I)化合物： 其中 X1 和 X2 相同或不同，且各自为键或在主链中具有 1 至 20 个原子的间隔物； R1 和 R2 中的一个是具有选自 1）任选取代的羧基-C1-6 烷氧基和 2）任选取代的羧基-C1-6 脂肪族烃基的取代基的循环基团，其中循环基团任选具有附加取代基，另一个是任选取代的循环基团或氢原子；以及 R3、R4 和 R5 相同或不同，且各自为氢原子或取代基，或 R4 可与 R3 或 R5 连接形成任选取代的环； 条件是当 R3 是氢原子、R4 是氢原子且 R5 是甲基时，X2-R2 不是 4-环己基苯基；当 R3 是 4-甲氧基苯基、R4 是氢原子且 R5 是甲基时，X2-R2 不是 4-甲氧基苯基；以及当 R1 或 R2 是氢原子时，相邻的 X1 或 X2 不是 C1-7 亚烷基； 或其盐具有蛋白酪氨酸磷酸酶抑制作用，可用作糖尿病或类似疾病的预防或治疗剂。
• Additions of singlet oxygen to alkoxy-substituted butadienes. An unexpectedly large s-cis/s-trans ratio in an (E,Z)-diene or a kinetic anomeric effect?
  作者：Edward L. Clennan、Robert P. L'Esperance、Kathleen K. Lewis

  DOI：10.1021/jo00359a012

  日期：1986.5
• CLENNAN E. L.; LEWIS K. K., J. AMER. CHEM. SOC., 109,(1987) N 8, 2475-2478
  作者：CLENNAN E. L.、 LEWIS K. K.

  DOI：——

  日期：——