1-chlorohex-2-yne | 33598-19-5

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 有机氯化物
• 英文名称: 1-chlorohex-2-yne
• 英文别名: 1-chloro-hex-2-yne；1-Chlor-hex-2-in
• CAS: 33598-19-5
• 化学式: C₆H₉Cl
• mdl: MFCD19232344
• 分子量: 116.59
• InChiKey: PDOSDJLFIKYYMV-UHFFFAOYSA-N

物化性质

• 熔点：
  205 °C
• 沸点：
  145.4±13.0 °C(Predicted)
• 密度：
  0.953±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  7
• 可旋转键数：
  1
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.666
• 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：

  1-chlorohex-2-yne 生成 己-2-炔-1-胺
  参考文献：
  名称：

  Marszak-Fleury, Annales de Chimie (Cachan, France), 1958, vol. <13>3, p. 656,676

  摘要：

  DOI：
• 作为产物：
  描述：

  2-己炔-1-醇 在 (chloro(phenylthio)methylene)dimethylammonium chloride 作用下， 以 二氯甲烷 为溶剂， 反应 3.0h， 以96%的产率得到1-chlorohex-2-yne
  参考文献：
  名称：

  （氯苯硫基-亚甲基）二甲基氯化铵（CPMA）一种用于伯醇选择性氯化和溴化的有效试剂

  摘要：

  （氯-苯硫基-亚甲基）二甲基氯化铵可与多种醇平稳反应，以高收率得到相应的烷基氯化物。在四丁基溴化铵存在下，获得相应的溴化物。描述了在未保护的仲羟基存在下伯羟基的选择性卤化。所涉及的温和的反应条件与主要的醇保护基以及对酸敏感的官能团如环氧化物相容。

  DOI：

  10.1016/s0040-4039(00)00940-0

文献信息

• [EN] DIHYDROPYRONE COMPOUNDS AND HERBICIDES COMPRISING THE SAME<br/>[FR] COMPOSÉS DE DIHYDROPYRONE ET HERBICIDES LES COMPRENANT
  申请人：SUMITOMO CHEMICAL CO

  公开号：WO2014084407A1

  公开（公告）日：2014-06-05

  The present invention provides a compound having an excellent efficacy for controlling weeds. A dihydropyrone compound of formula (I): wherein m is 1, 2 or 3; n is an integer of any one of 1 to 5; X represents O, S, S(O) or S(O)2; R1 represents a hydrogen atom or a methyl group; R2 and R3 represents a hydrogen atom, an C1-6 alkyl group and the like; when X represents S, S(O) or S(O)2, R4 represents an C1-6 alkyl group, a C1-6 haloalkyl group, an C6-10 aryl group or a five- to six- membered heteroaryl group, and X represents O, S, S(O) or S(O)2, R4 represents an C6-10 aryl group or a five- to six- membered heteroaryl group; G represents a hydrogen atom and the like; Z represents a halogen atom, a cyano group, a nitro group, a phenyl group, an C1-6 alkyl group and the like; is useful as an active ingredient for herbicides.

  本发明提供了一种对于控制杂草具有出色功效的化合物。式（I）的二氢吡酮化合物：其中m为1、2或3；n为1至5中的任意一个整数；X代表O、S、S(O)或S(O)2；R1代表氢原子或甲基基团；R2和R3代表氢原子、C1-6烷基基团等；当X代表S、S(O)或S(O)2时，R4代表C1-6烷基基团、C1-6卤代烷基基团、C6-10芳基基团或五元到六元杂芳基团，且当X代表O、S、S(O)或S(O)2时，R4代表C6-10芳基基团或五元到六元杂芳基团；G代表氢原子等；Z代表卤原子、氰基、硝基、苯基、C1-6烷基基团等；作为除草剂的活性成分非常有用。
• Switchable Stereoselectivity in Bromoaminocyclization of Olefins: Using Brønsted Acids of Anionic Chiral Cobalt(III) Complexes
  作者：Hua-Jie Jiang、Kun Liu、Jie Yu、Ling Zhang、Liu-Zhu Gong

  DOI：10.1002/anie.201705066

  日期：2017.9.18

  Brønsted acids of anionic chiral CoIII complexes act as bifunctional phase‐transfer catalysts to shuttle the substrates across the solvent interface and control stereoselectivity. The diastereomeric chiral CoIII‐templated Brønsted acids, with the same chiral ligands, enabled a switch in the enantioselective bromoaminocyclization of olefins to afford the two enantiomers of 2‐substituted pyrrolidines

  阴离子手性Co III配合物的布朗斯台德酸充当双功能相转移催化剂，使底物穿过溶剂界面穿梭并控制立体选择性。具有相同手性配体的非对映异构手性Co III模板化的布朗斯台德酸使烯烃的对映选择性溴氨基环化发生了变化，从而提供了具有高对映选择性（高达99：1 er）的2-取代吡咯烷的两个对映异构体。
• [EN] PROSTAGLANDIN ENDOPEROXIDE H SYNTHASE BIOSYNTHESIS INHIBITORS<br/>[FR] INHIBITEURS DE LA BIOSYNTHESE DE LA PROSTAGLANDINE ENDOPEROXYDE H SYNTHASE
  申请人：ABBOTT LAB

  公开号：WO2000024719A1

  公开（公告）日：2000-05-04

  The present invention describes pyridazinone compounds of formula (I) which are cyclooxygenase (COX) inhibitors, and in particular, are selective inhibitors of cyclooxygenase-2 (COX-2). COX-2 is the inducible isoform associated with inflammation, as opposed to the constitutive isoform, cyclooxygenase-1 (COX-1) which is an important 'housekeeping' enzyme in many tissues, including the gastrointestinal (GI) tract and the kidneys. The selectively of these compounds for COX-2 minimizes the unwanted GI and renal side-effects seen with currently marketed non-steroidal anti-inflammatory drugs (NSAIDs).

  本发明描述了式（I）的吡啶酮化合物，它们是环氧合酶（COX）抑制剂，特别是选择性抑制剂环氧合酶-2（COX-2）。COX-2是与炎症有关的诱导型同工酶，而非构成型同工酶环氧合酶-1（COX-1），后者是许多组织（包括胃肠道和肾脏）中重要的“管家”酶。这些化合物对COX-2的选择性最小化了目前市场上非甾体类抗炎药（NSAIDs）所见的不良胃肠道和肾脏副作用。
• Prostaglandin endoperoxide H synthase biosynthesis inhibitors
  申请人：——

  公开号：US20020028938A1

  公开（公告）日：2002-03-07

  The present invention describes pyridazinone compounds of formula I 1 which are cyclooxygenase (COX) inhibitors, and in particular, are selective inhibitors of cyclooxygenase-2 (COX-2). COX-2 is the inducible isoform associated with inflammation, as opposed to the constitutive isoform, cyclooxygenase-1 (COX-1) which is an important “housekeeping” enzyme in many tissues, including the gastrointestinal (GI) tract and the kidneys. The selectivity of these compounds for COX-2 minimizes the unwanted GI and renal side-effects seen with currently marketed non-steroidal anti-inflammatory drugs (NSAIDs).

  本发明描述了公式I1的吡啶并咪唑酮化合物，它们是环氧合酶（COX）抑制剂，特别是选择性地抑制环氧合酶-2（COX-2）。 COX-2是与炎症相关的可诱导异构体，与包括胃肠道和肾脏在内的许多组织中重要的“家务”酶环氧合酶-1（COX-1）相对。这些化合物对COX-2的选择性最小化了目前市场上非甾体抗炎药（NSAIDs）所见的不良胃肠和肾脏副作用。
• DIHYDROPYRONE COMPOUNDS AND HERBICIDES COMPRISING THE SAME
  申请人：SUMITOMO CHEMICAL COMPANY, LIMITED

  公开号：US20150299156A1

  公开（公告）日：2015-10-22

  The present invention provides a compound having an excellent efficacy for controlling weeds. A dihydropyrone compound of formula (I): wherein m is 1, 2 or 3; n is an integer of any one of 1 to 5; X represents O, S, S(O) or S(O) 2 ; R 1 represents a hydrogen atom or a methyl group; R 2 and R 3 represents a hydrogen atom, an C 1-6 alkyl group and the like; when X represents S, S(O) or S(O) 2 , R 4 represents an C 1-6 alkyl group, a C 1-6 haloalkyl group, an C 6-10 aryl group or a five- to six-membered heteroaryl group, and X represents O, S, S(O) or S(O) 2 , R 4 represents an C 6-10 aryl group or a five- to six-membered heteroaryl group; G represents a hydrogen atom and the like; Z represents a halogen atom, a cyano group, a nitro group, a phenyl group, an C 1-6 alkyl group and the like; is useful as an active ingredient for herbicides.

  本发明提供了一种具有优异除草效果的化合物。该化合物为式（I）的二氢吡酮化合物：其中m为1、2或3；n为1至5的任一整数；X代表O、S、S（O）或S（O）2；R1代表氢原子或甲基基团；R2和R3代表氢原子、C1-6烷基基团等；当X代表S、S（O）或S（O）2时，R4代表C1-6烷基基团、C1-6卤代烷基基团、C6-10芳基基团或五元至六元杂环芳基基团，当X代表O、S、S（O）或S（O）2时，R4代表C6-10芳基基团或五元至六元杂环芳基基团；G代表氢原子等；Z代表卤原子、氰基、硝基、苯基、C1-6烷基基团等。该化合物可用作除草剂的活性成分。