十三碳-4-炔-1-烯 | 130670-04-1

• 分子结构分类: 有机化合物 - 碳氢化合物 - 不饱和烃
• 中文名称: 十三碳-4-炔-1-烯
• 英文名称: trideca-4-yn-1-ene
• 英文别名: tridec-1-en-4-yne；1-tridecen-4-yne
• CAS: 130670-04-1
• 化学式: C₁₃H₂₂
• 分子量: 178.318
• InChiKey: SPZCIDWDRNVWLE-UHFFFAOYSA-N

物化性质

• 沸点：
  224.9±9.0 °C(Predicted)
• 密度：
  0.804±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.8
• 重原子数：
  13
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.69
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  十三碳-4-炔-1-烯 在 间氯过氧苯甲酸 、 lithium bromide 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 生成
  参考文献：
  名称：

  [EN] FATTY ACID DERIVATIVES AND THEIR USE
  [FR] DÉRIVÉS D'ACIDES GRAS ET UTILISATION ASSOCIÉE

  摘要：

  这份披露涉及脂肪酸衍生物，包括含有脂肪酸衍生物的药物组合物，以及使用脂肪酸衍生物的方法，例如用于治疗炎症、慢性瘙痒、慢性疼痛、自身免疫性疾病、动脉粥样硬化、皮肤疾病、关节炎、神经退行性疾病或精神疾病的主体。在某些实施例中，脂肪酸衍生物是一种化合物，或其立体异构体、互变异构体或药用可接受的盐，其结构如下：(I)其中X的长度为1-16个碳，Z是1-16个碳的脂肪族，或者不存在，Y选自：(II)R1、R2和R3独立地是氢或较低的烷基，R4是较低的烷基、羟基、羧基或胺基，R5是氢、较低的烷基或卤素，R6是羟基或取代硫醇，每个R7独立地是氢或氟或不存在，相邻的碳形成炔烃。

  公开号：

  WO2019010414A1
• 作为产物：
  描述：

  1-癸炔 在 六甲基磷酰三胺 、 正丁基锂 、 samarium diiodide 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 反应 1.17h， 生成 十三碳-4-炔-1-烯
  参考文献：
  名称：

  Generation and Reactions of Alkynylsamariums

  摘要：

  Three methods have been developed for generating alkynylsamariums: (1) reduction of iodoalkynes with SmI2 in the presence of HMPA, (2) deprotonation at the terminal position of 1-alkynes either by tetrahydrofurylsamarium generated by PhI and SmI2 in THF, or, (3) deprotonation by butyllithium followed by metal-metal exchange with SmI3. Alkynylsamariums arising from iodoalkynes with SmI2? undergo coupling with carbonyl compounds under both Barbier and Grignard conditions in benzene-HMPA or THF-HMPA as a solvent system. Tetrahydrofurylsamarium generated from iodobenzene and SmI2 in THF can deprotonate from terminal alkynes to yield alkynylsamariums whereas other alkylsamariums, such as ethyl-, isopropyl, cyclohexyl-, and cyclopentylsamarium do not work well. Metal-metal exchange between an alkynyllithium and SmI3 is also effective; the reactive species in this case would be alkynylsamariums rather than alkynyllithiums. To reveal the properties of alkynylsamariums, we examined the stability and reactivity of alkynylsamariums toward Various electrophiles. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(00)00971-6

文献信息

• Hydroborations, reductions and reductive iodinations using BHI2: N(C2H5)2Ph Complex
  作者：Ch. Kishan Reddy、Mariappan Periasamy

  DOI：10.1016/s0040-4020(01)80500-7

  日期：1992.1

  useful for hydroboration of alkenes, reduction of amides, iodination of alcohols, reductive iodination of carboxylic acids, aldehydes and ketones. Selective hydroboration of monosubstituted olefin over disubstituted olefinic moiety and terminal olefins over internal alkyne moiety have been achieved using this reagent. Carboxylic esters and nitriles are not affected by this reagent. Selective hydroboration

  通过BH 3：N（C 2 H 5）2 Ph与I 2反应制备的BHI 2：N（C 2 H 5）2 Ph络合物可以用于烯烃的硼氢化，酰胺的还原，醇的碘化，羧酸，醛和酮的还原碘化。使用该试剂已经实现了在二取代的烯烃部分上的单取代烯烃和在内部炔烃部分上的末端烯烃的选择性氢硼化。羧酸酯和腈不受该试剂的影响。在酯和腈官能团的存在下，实现了1-烯烃的选择性硼氢化和环己酮的选择性还原碘化。
• Copper(I) and phase transfer catalyzed allylation of alkynes
  作者：Vladimir V. Grushin、Howard Alper

  DOI：10.1021/jo00033a055

  日期：1992.3
• Generation and Reactions of Alkynylsamariums
  作者：Munetaka Kunishima、Daisuke Nakata、Shinobu Tanaka、Kazuhito Hioki、Shohei Tani

  DOI：10.1016/s0040-4020(00)00971-6

  日期：2000.12

  Three methods have been developed for generating alkynylsamariums: (1) reduction of iodoalkynes with SmI2 in the presence of HMPA, (2) deprotonation at the terminal position of 1-alkynes either by tetrahydrofurylsamarium generated by PhI and SmI2 in THF, or, (3) deprotonation by butyllithium followed by metal-metal exchange with SmI3. Alkynylsamariums arising from iodoalkynes with SmI2? undergo coupling with carbonyl compounds under both Barbier and Grignard conditions in benzene-HMPA or THF-HMPA as a solvent system. Tetrahydrofurylsamarium generated from iodobenzene and SmI2 in THF can deprotonate from terminal alkynes to yield alkynylsamariums whereas other alkylsamariums, such as ethyl-, isopropyl, cyclohexyl-, and cyclopentylsamarium do not work well. Metal-metal exchange between an alkynyllithium and SmI3 is also effective; the reactive species in this case would be alkynylsamariums rather than alkynyllithiums. To reveal the properties of alkynylsamariums, we examined the stability and reactivity of alkynylsamariums toward Various electrophiles. (C) 2000 Elsevier Science Ltd. All rights reserved.
• [EN] FATTY ACID DERIVATIVES AND THEIR USE<br/>[FR] DÉRIVÉS D'ACIDES GRAS ET UTILISATION ASSOCIÉE
  申请人：US HEALTH

  公开号：WO2019010414A1

  公开（公告）日：2019-01-10

  This disclosure concerns fatty acid derivatives, pharmaceutical compositions comprising the fatty acid derivatives, and methods of using the fatty acid derivatives, for example, to treat inflammation, chronic itch, chronic pain, an autoimmune disorder, atherosclerosis, a skin disorder, arthritis, a neurodegenerative disorder, or a psychiatric disorder in a subject. In some embodiments, the fatty acid derivative is a compound, or a stereoisomer, tautomer, or pharmaceutically acceptable salt thereof, having a structure according to: (I) wherein X is from 1-16 carbons in length, Z is aliphatic from 1-16 carbons in length, or is not present, Y is selected from: (II) R1, R2, and R3 are independently hydrogen or lower alkyl, R4 is lower alkyl, hydroxyl, carboxyl, or amine, R5 is hydrogen, lower alkyl, or halide, R6 is hydroxyl or substituted thiol, and each R7 is independently hydrogen or fluoride or is not present and the adjacent carbons form alkyne.

  这份披露涉及脂肪酸衍生物，包括含有脂肪酸衍生物的药物组合物，以及使用脂肪酸衍生物的方法，例如用于治疗炎症、慢性瘙痒、慢性疼痛、自身免疫性疾病、动脉粥样硬化、皮肤疾病、关节炎、神经退行性疾病或精神疾病的主体。在某些实施例中，脂肪酸衍生物是一种化合物，或其立体异构体、互变异构体或药用可接受的盐，其结构如下：(I)其中X的长度为1-16个碳，Z是1-16个碳的脂肪族，或者不存在，Y选自：(II)R1、R2和R3独立地是氢或较低的烷基，R4是较低的烷基、羟基、羧基或胺基，R5是氢、较低的烷基或卤素，R6是羟基或取代硫醇，每个R7独立地是氢或氟或不存在，相邻的碳形成炔烃。