4-octyne-1-ol | 34126-19-7

• 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: 4-octyne-1-ol
• 英文别名: 4-octyn-1-ol；oct-4-yn-1-ol
• CAS: 34126-19-7
• 化学式: C₈H₁₄O
• 分子量: 126.199
• InChiKey: UCTGHDMOMUZRLR-UHFFFAOYSA-N

物化性质

• 熔点：
  -39°C (estimate)
• 沸点：
  204.35°C (rough estimate)
• 密度：
  0.8537 (estimate)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  9
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.75
• 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：

  4-octyne-1-ol 在 Lindlar's catalyst 、 Pb-poisoned Pd 氢气 作用下， 以88%的产率得到(Z)-4-辛烯-1-醇
  参考文献：
  名称：

  Vasil'ev, A. A.; Cherkaev, G. V.; Nikitina, M. A., Russian Journal of Organic Chemistry, 1993, vol. 29, # 5.1, p. 735 - 739

  摘要：

  DOI：
• 作为产物：
  描述：

  1-碘-4-辛炔 在 氢氧化钾 、 二苯并-18-冠醚-6 、 potassium acetate 作用下， 生成 4-octyne-1-ol
  参考文献：
  名称：

  Vasil'ev, A. A.; Cherkaev, G. V.; Nikitina, M. A., Russian Journal of Organic Chemistry, 1993, vol. 29, # 5.1, p. 735 - 739

  摘要：

  DOI：

文献信息

• First total synthesis of niphatesines A-D and assignment of absolute configuration
  作者：AV Rama Rao、Gongiti Ravindra Reddy

  DOI：10.1016/s0040-4039(00)61423-5

  日期：1993.12

  Regio/Enantioselective synthesis of niphatesines A-D is achieved making use of Pd(O) assisted 3-alkylation of pyridine as the key step. Absolute configuration of niphatesines C and D is established.

  通过使用Pd（O）辅助的吡啶的3-烷基化作为关键步骤，实现了对亚硝酸盐AD的区域/对映选择性合成。建立了亚硝酸盐C和D的绝对构型。
• IDO/TDO Inhibitor
  申请人：GENERAL INCORPORATED ASSOCIATION PHARMA VALLEY PROJECT SUPPORTING ORGANIZATION

  公开号：US20200239452A1

  公开（公告）日：2020-07-30

  A compound of formula (I) given below or a pharmaceutically acceptable salt of the compound is useful as an IDO/TDO inhibitor. Thus, the compound of formula (I) or the pharmaceutically acceptable salt of the compound can be used as, for example, a therapeutic agent for a disease or a disorder selected from tumor, infectious disease, neurodegenerative disorder, cataract, organ transplant rejection, autoimmune disease, postoperative cognitive impairment, and disease related to women's reproductive health [in the following formula (I), ring A represents an aromatic ring, an aliphatic ring, a heterocyclic ring, or a condensed ring of two or more rings selected from an aromatic ring, an aliphatic ring and a heterocyclic ring; X, R 1 and R 2 represent a substituent on a ring atom constituting ring A; m represents an integer of 0 to 6; X represents, for example, a halogen atom; and R 1 and R 2 are the same or different and are selected from, for example, the group consisting of groups of formula (a) or formula (b); and in the following formula (a) and formula (b), Y is selected from the group consisting of O, S, and Se, Z is selected from the group consisting of O, S, and Se, n represents an integer of 1 to 8, r represents an integer of 1 to 8, s represents an integer of 1 to 8, R 4 represents, for example, —C(═NH)—HN 2 , and R 6 represents, for example, a substituted or unsubstituted aryl group].

  以下公式（I）给出的化合物或该化合物的药学上可接受的盐可用作IDO/TDO抑制剂。因此，公式（I）的化合物或该化合物的药学上可接受的盐可用作，例如，用于肿瘤、传染病、神经退行性疾病、白内障、器官移植排斥、自身免疫疾病、术后认知障碍以及与女性生殖健康相关的疾病的治疗剂。在以下公式（I）中，环A代表芳香环、脂环、杂环或两个或更多个选自芳香环、脂环和杂环的缩合环的环；X、R1和R2代表构成环A的环原子上的取代基；m代表0到6的整数；X代表例如卤素原子；R1和R2相同或不同，选自例如由公式（a）或公式（b）组成的基团，而在以下公式（a）和公式（b）中，Y选自O、S和Se组成的基团，Z选自O、S和Se组成的基团，n表示1到8的整数，r表示1到8的整数，s表示1到8的整数，R4代表例如—C(═NH)—HN2，R6代表例如取代或未取代的芳基。
• Prop-2-ynyl- and propadienyl-lithium reagents. Regiocontrolled synthesis of allenic compounds
  作者：Chanh Huynh、G�rard Linstrumelle

  DOI：10.1039/c39830001133

  日期：——

  Direct proof for the rearrangement of the prop-2-ynyl-lithium (2) into the propadienyl-lithium (4) is provided by the formation of the 1,3-disubstituted allenic compounds(7).

  通过形成1，3-二取代的烯丙基化合物（7），直接证明了将丙-2-炔基锂（2）重新排列成丙二烯基锂（4）。
• Substituted quinazoline derivatives as inhibitors of aurora kinases
  申请人：Jung Henri Frederic

  公开号：US20050070561A1

  公开（公告）日：2005-03-31

  The invention provides quinazoline derivatives of formula (I): in the preparation of a medicament for use in the inhibition of Aurora kinase and also novel quinazoline derivatives, processes for their preparation, pharamceutical compositions containing them and their use in therapy.

  该发明提供了化学式（I）的喹唑啉衍生物：在制备用于抑制极化丝激酶的药物时，以及新的喹唑啉衍生物，它们的制备过程，包含它们的药物组合物以及它们在治疗中的使用。
• Hydrogenation Promoter, Hydrogenation Catalyst, and Process for Producing Alkene Compound
  申请人：Hori Junichi

  公开号：US20080033221A1

  公开（公告）日：2008-02-07

  A hydrogenation promoter of the present invention is produced by reacting an alkyne compound or an alkene compound, a palladium compound represented by a general formula Pd(II)X j L k (where L represents a monodentate ligand or a polydendate ligand other than a phosphorus-containing ligand (when two or more Ls are present in the compound, the Ls may be the same or different), X represents an anionic group, j represents a value determined according to the valence of X so that X j has a valence of −2 as a whole, and k represents an integer in the range of 0 to 4), and a base in an organic solvent. Specifically, The hydrogenation promoter of the invention includes palladium nanoparticles containing the alkyne compound or the alkene compound as an agglomeration-preventing agent.

  本发明的氢化促进剂是通过在有机溶剂中反应炔烃化合物或烯烃化合物、由一般式Pd(II)XjLk表示的钯化合物(其中L表示单齿配体或不含磷的多齿配体（当化合物中存在两个或两个以上的L时，L可以相同也可以不同），X表示阴离子基团，j表示根据X的价确定的值，使Xj整体价为-2，k表示0到4之间的整数)，以及碱的反应产生的。具体来说，本发明的氢化促进剂包括含有炔烃化合物或烯烃化合物作为凝聚抑制剂的钯纳米粒子。