6,6-dimethyl-4-heptyn-2-ol | 131067-13-5

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 6,6-dimethyl-4-heptyn-2-ol
• 英文别名: 6,6-Dimethylhept-4-yn-2-ol
• CAS: 131067-13-5
• 化学式: C₉H₁₆O
• 分子量: 140.225
• InChiKey: BJKJEAVGCXSBNW-UHFFFAOYSA-N

物化性质

• 沸点：
  130 °C(Press: 60 Torr)
• 密度：
  0.885±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  6,6-dimethyl-4-heptyn-2-ol 在 三乙胺 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 4.5h， 生成 N,6,6-trimethyl-N-(naphthalen-1-ylmethyl)hept-4-yn-2-amine
  参考文献：
  名称：

  新型高炔丙基胺类抗真菌药的合成及其构效关系。

  摘要：

  制备了抗真菌的烯丙胺特比萘芬的类似物，其中保留了萘和叔丁基-乙炔部分，但两组之间的间隔不同，并评估了新化合物的抗真菌活性。原始间隔基的所有修饰，例如双键的还原，氮原子位置的切换，缩短和伸长，均导致效力降低，但以下情况除外：1-萘与任选取代的叔叔丁基之间具有CH2NMeCH2CH2基团的化合物丁基乙炔功能在体外具有较高的抗真菌活性。新的高炔丙基胺衍生物比特比萘芬更有效地抵抗烟曲霉。

  DOI：

  10.1021/jm00031a010
• 作为产物：
  描述：

  methyloxirane 、 tert-butyllithium 生成 6,6-dimethyl-4-heptyn-2-ol
  参考文献：
  名称：

  Gold-Catalyzed Tandem Cycloisomerization−Hydroalkoxylation of Homopropargylic Alcohols

  摘要：

  The tandem cycloisomerization-hydroalkoxylation of various homopropargylic alcohols in the presence of an alcohol and a dual catalyst system, consisting of a gold precatalyst and a Bronsted acid, provides an efficient route to tetrahydrofuranyl ethers under mild reaction conditions. The reaction can be carried out in various solvents, including alcohol, with both terminal and internal alkynes as the substrate.

  DOI：

  10.1021/ol061751u

文献信息

• 4-AZA INDOLE DERIVATIVES AND THEIR USE AS FUNGICIDES
  申请人：Selles Patrice

  公开号：US20100184598A1

  公开（公告）日：2010-07-22

  The present invention relates to a method of preventing and/or controlling fungal infection in plants and/or plant propagation material comprising applying to the plant or plant propagation material a fungicidally effective amount of a compound of formula (I) or a salt of N-oxide thereof. In addition, the present invention also relates to a compound of formula (I).

  本发明涉及一种防止和/或控制植物和/或植物繁殖材料真菌感染的方法，包括向植物或植物繁殖材料施加化合物(I)或其N-氧化物盐的杀菌有效量。此外，本发明还涉及化合物(I)的一种。
• Palladium(II)-catalyzed carbonylation of 3-buten-1-ols and 3-butyn-1-ols: an efficient synthesis of .gamma.-butyrolactones
  作者：Yoshinao Tamaru、Makoto Hojo、Zenichi Yoshida

  DOI：10.1021/jo00003a036

  日期：1991.2

  Palladium(II)-catalyzed dicarbonylation of 3-buten-1-ols (1) in the presence of propylene oxide and ethyl orthoacetate in methanol-dichloromethane under carbon monoxide at atmospheric pressure afforded alpha-[(methoxycarbonyl)methyl]-gamma-butyrolactones (2) in good yields. This dicarbonylation reaction occurs via stereospecific cis addition. Under similar conditions, 4-(trimethylsilyl)-3-butyn-1-ols (4a and 4b) undergo dicarbonylation to provide cis-dicarbonylated alpha-methylene-gamma-butyrolactones (5a and 5b, respectively). 4-Alkyl-and 4-aryl-3-butyn-1-ols (4c-g), on the other hand, undergo trans alkoxycarbonylation across the triple bond and selectively furnish E tetrasubstituted alpha-methylene-gamma-butyrolactones (6).
• Ethylene Transposition: Ruthenium Hydride Catalyzed Intramolecular <i>trans</i>-Silylvinylation of Internal Alkynes
  作者：Shasha Liu、Jinbo Zhao、Lauren Kaminsky、Robert J. Wilson、Nadia Marino、Daniel A. Clark

  DOI：10.1021/ol5020027

  日期：2014.9.5

  A highly selective intramolecular trans-silylvinylation of internal alkynes catalyzed by RuHCl(CO)(SIMes)(PPh3) has been accomplished. The use of methyl vinyl ketone as an additive increased the efficiency of this transformation. This process was used to successfully form five-, six-, and seven-membered oxasilacycles by a formal anti-exo-dig cyclization.
• TAMARU, YOSHINAO;HOJO, MAKOTO;YOSHIDA, ZEN-ICHI, J. ORG. CHEM., 56,(1991) N, C. 1099-1105
  作者：TAMARU, YOSHINAO、HOJO, MAKOTO、YOSHIDA, ZEN-ICHI

  DOI：——

  日期：——
• US8084395B2
  申请人：——

  公开号：US8084395B2

  公开（公告）日：2011-12-27