3,3-二甲基己醛 | 55320-57-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 3,3-二甲基己醛
• 英文名称: 3,3-dimethylhexanal
• CAS: 55320-57-5
• 化学式: C₈H₁₆O
• 分子量: 128.214
• InChiKey: IHEORNQYISDNQZ-UHFFFAOYSA-N

物化性质

• 保留指数：
  915.5

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  9
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 海关编码：
  2912190090

反应信息

• 作为反应物：
  描述：

  3,3-二甲基己醛 在 三氯氧磷 作用下， 以 二甲基亚砜 为溶剂， 生成 5,5-dimethyl-3-tetrahydropyranyloxy-1-octyne
  参考文献：
  名称：

  Novel 11-hydroxy-9-keto-5,6-cis-13,14-cis-prostadienoic acid derivatives

  摘要：

  这份披露描述了某些11-羟基和11-去氧-9-酮（或羟基）-前列腺酸衍生物，可用作支气管扩张剂、降压剂、抗溃疡剂或中间体。

  公开号：

  US04123456A1
• 作为产物：
  描述：

  4-甲基-3-戊醇 在 palladium on activated charcoal mercury(II) diacetate 、 氢气 作用下， 生成 3,3-二甲基己醛
  参考文献：
  名称：

  The Steric Course of the Claisen Rearrangement

  摘要：

  An infrared study of the stereochemistry attending the Claisen rearrangement of cis- and trans-alpha,gamma-dimethylallyl and two other related vinyl ethers has shown that the reaction produces essentially only trans substituted allylacetaidehydes. The double bond in the o-Claisen rearrangement product of trans-alpha, gamma-dimethylallyl phenyl ether has also been demonstrated by infrared absorption to be predominantly trans. The transition state geometry of the Claisen rearrangement implied by these findings is discussed.

  DOI：

  10.1021/ja01502a057

文献信息

• Novel 11-hydroxy-9-keto-5,6-cis-13,14-cis-prostadienoic acid derivatives
  申请人：American Cyanamid Company

  公开号：US04123456A1

  公开（公告）日：1978-10-31

  This disclosure describes certain 11-hydroxy and 11-deoxy-9-keto(or hydroxy)-prostanoic acid derivatives useful as bronchodilators, hypotensive agents, anti-ulcer agents, or as intermediates.

  这份披露描述了某些11-羟基和11-去氧-9-酮（或羟基）-前列腺酸衍生物，可用作支气管扩张剂、降压剂、抗溃疡剂或中间体。
• Lithium 3-triphenylmethoxy-1-trans-alkenyl-dialkyl alanates
  申请人：American Cyanamid Company

  公开号：US03932479A1

  公开（公告）日：1976-01-13

  This disclosure describes 3-triphenylmethoxy-1-alkynes, 3-triphenylmethoxy-1-trans-alkenyl-dialkyl-alanes, and lithium 3-triphenylmethoxy-1-trans-alkenyl-dialkyl alanates useful as intermediates for the preparation of certain 11-hydroxy- and 11-deoxy-9-keto(or hydroxy)-prostanoic acid derivatives which possess bronchodilator, hypotensive, and anti-ulcer activity.

  本公开揭示了作为制备某些具有支气管扩张剂、降压剂和抗溃疡活性的11-羟基和11-去氧-9-酮（或羟基）-前列腺酸衍生物的中间体的3-三苯甲氧基-1-炔基、3-三苯甲氧基-1-反式-烯基-二烷基铝和锂3-三苯甲氧基-1-反式-烯基-二烷基丙酸铝。
• 2-Substituted-3,4-epoxycyclopentan-1-ones, and
  申请人：American Cyanamid Company

  公开号：US03966773A1

  公开（公告）日：1976-06-29

  This disclosure describes 2-substituted-3,4-epoxy-cyclopentan-1-ones, 2-substituted-3,4-epoxycyclopentan-1-ols, and various 2-substituted-cyclopentenones useful as intermediates for the preparation of certain 11-hydroxy- and 11-deoxy-9-keto(or hydroxy)-prostanoic acid derivatives which possess bronchodilator, hypotensive, and anti-ulcer activity.

  这份披露描述了2-取代-3,4-环氧基环戊烷-1-酮，2-取代-3,4-环氧基环戊烷-1-醇，以及各种有用的2-取代环戊烯酮，作为制备具有支气管扩张剂、降压和抗溃疡活性的某些11-羟基和11-去氧-9-酮（或羟基）前列腺酸衍生物的中间体。
• CARBOXYLIC ACID DERIVATIVES AND ADHESION MOLECULE INHIBITORS CONTAINING THE SAME AS THE ACTIVE INGREDIENT
  申请人：TORAY INDUSTRIES, INC.

  公开号：EP1209147A1

  公开（公告）日：2002-05-29

  Prevention or therapy of inflammatory diseases caused by invasion of leukocytes such as monocytes, lymphocytes and eosinophils, by providing a substance which inhibits cell adhesion via an adhesion molecule, especially adhesion molecule VLA-4, is disclosed. A group of carboxylic acid derivatives represented by, for example, and adhesion molecule inhibitors comprising the same as an effective ingredient were provided.

  通过提供一种通过粘附分子抑制细胞粘附的物质，特别是粘附分子VLA-4，来预防或治疗由单核细胞、淋巴细胞和嗜酸性粒细胞侵袭引起的炎症性疾病的方法被揭示。提供了一组由羧酸衍生物代表的粘附分子抑制剂，例如，以其为有效成分的粘附分子抑制剂。
• MODULATORS OF SESTRIN-GATOR2 INTERACTION AND USES THEREOF
  申请人：Navitor Pharmaceuticals, Inc.

  公开号：US20170114080A1

  公开（公告）日：2017-04-27

  The present invention provides compounds, compositions thereof, and methods of using the same.

  本发明提供了化合物、其组合物以及使用相同的方法。