1-hexyl-1H-pyrazole | 63935-96-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1-hexyl-1H-pyrazole
• 英文别名: 1-Hexylpyrazole
• CAS: 63935-96-6
• 化学式: C₉H₁₆N₂
• 分子量: 152.239
• InChiKey: SDZFVDDMTMLQGG-UHFFFAOYSA-N

物化性质

• 沸点：
  212-214 °C
• 密度：
  0.93±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  11
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  17.8
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1-hexyl-1H-pyrazole 、 二苯基乙炔 在 氧气 、 sodium acetate 、 palladium diacetate 、 溶剂黄146 作用下， 以 N,N-二甲基乙酰胺 为溶剂， 反应 16.0h， 以68%的产率得到1-hexyl-4,5,6,7-tetraphenyl-1H-indazole
  参考文献：
  名称：

  吡咯与炔烃的钯催化好氧苯环合

  摘要：

  作为化学计量金属氧化剂的替代品，氧气被用作吡唑与内部炔烃的钯催化环化反应的氧化剂。添加乙酸钠和乙酸对于稳定Pd系统至关重要。这种绿色方法可以一步一步从容易获得的母体吡唑制备吲唑。

  DOI：

  10.1002/bkcs.12175
• 作为产物：
  描述：

  溴己烷 、 1-三甲基硅基吡唑 反应 24.0h， 以82%的产率得到1-hexyl-1H-pyrazole
  参考文献：
  名称：

  Etude dans la serie des organosilylazoles

  摘要：

  DOI：

  10.1016/s0022-328x(00)82809-0

文献信息

• PROCESS FOR PRODUCTION OF BIS-QUATERNARY AMMONIUM SALT, AND NOVEL INTERMEDIATE
  申请人：Okamoto Kuniaki

  公开号：US20120130107A1

  公开（公告）日：2012-05-24

  Object To provide a method for producing a bis-quaternary ammonium salt efficiently and a novel synthetic intermediate thereof. Solution The present invention relates to a method for producing a bis-quaternary ammonium salt represented by a general formula [3] which comprises reacting a disulfonic acid ester represented by a general formula [1] (in the formula, definitions of two R 1 's and T are as described in claim 1 ) with a tertiary amine represented by a general formula [2] (in the formula, definitions of R 3 to R 5 are as described in claim 1 ), and a disulfonic acid ester represented by a general formula [1′] (in the formula, two R 16 's represent independently a halogen atom or a C1-C3 fluoroalkyl group, and two m's represent independently an integer of 1 to 5).

  提供一种高效生产双季铵盐和其新型合成中间体的方法。本发明涉及一种生产由通用式[3]表示的双季铵盐的方法，包括将由通用式[1]表示的二磺酸酯（在该式中，两个R1和T的定义如权利要求1中所述）与由通用式[2]表示的三级胺（在该式中，R3到R5的定义如权利要求1中所述）以及由通用式[1']表示的二磺酸酯（在该式中，两个R16独立表示卤原子或C1-C3氟烷基，两个m独立表示1至5的整数）反应。
• Detosylative (Deutero)alkylation of Indoles and Phenols with (Deutero)alkoxides
  作者：Ming-Hui Zhu、Cheng-Long Yu、Ya-Lan Feng、Muhammad Usman、Dayou Zhong、Xin Wang、Nasri Nesnas、Wen-Bo Liu

  DOI：10.1021/acs.orglett.9b02639

  日期：2019.9.6

  An efficient strategy for N/O-(deutero)alkylation of indoles and phenols with alkoxides/alcohols as the alkylation reagents is described. The consecutive detosylation/alkylation transformations feature mild reaction conditions, high ipso-selectivity, and good functional group tolerance (>50 examples). A one-pot selective N-alkylation of unprotected indoles with alcohols and TsCl is also realized. The

  描述了用醇盐/醇作为烷基化试剂的吲哚和酚的N / O-（氘代）烷基化的有效策略。连续的脱甲苯基化/烷基化转化具有温和的反应条件，高的ipso-选择性和良好的官能团耐受性（> 50个例子）。还实现了未保护的吲哚与醇和TsCl的一锅选择性N-烷基化。该方法的应用通过使用易于获得的标记醇引入同位素标记（CD3和13CH3）基团以及药物合成来证明。
• IONIC LIQUID CONTAINING ALLYLSULFONATE ANION
  申请人：Watahiki Tsutomu

  公开号：US20120157680A1

  公开（公告）日：2012-06-21

  PROBLEM: Providing a novel ionic liquid, which is low-cost, environment-friendly, and has low viscosity and melting point. MEANS FOR SOLVING THE PROBLEM: The present invention is the invention of the ionic liquid represented by the general formula [1]: wherein, R 1 to R 3 and n pieces of R 4 each independently represent hydrogen atom or alkyl group having 1 to 4 carbon atoms, R 5 to R 7 each independently represent alkyl group, aralkyl group, or aryl group, R 8 represents alkyl group, aralkyl group, aryl group, or the one represented by the general formula [2]: (wherein T represents alkylene chain having 1 to 8 carbon atoms, n represents 1 or 2, and R 1 to R 7 are the same as the above-described), X represents nitrogen atom or phosphorus atom, n represents 1 or 2. When n is 1, R 3 and R 4 are bound and may form cyclohexene ring together with the adjacent carbon atoms. In addition, when X is nitrogen atom, R 5 to R 7 or R 5 to R 6 may form hetero ring with nitrogen atom binding thereto}.

  问题：提供一种新型离子液体，成本低、环保，并具有低粘度和熔点。 解决问题的方法：本发明是一种由通式[1]表示的离子液体的发明：其中，R1到R3和n个R4分别独立表示氢原子或具有1到4个碳原子的烷基基团，R5到R7分别独立表示烷基基团、芳基烷基基团或芳基基团，R8表示烷基基团、芳基烷基基团、芳基基团或由通式[2]表示的基团：（其中T表示具有1到8个碳原子的烷基链，n表示1或2，R1到R7与上述相同），X表示氮原子或磷原子，n表示1或2。当n为1时，R3和R4结合并且可能与相邻碳原子一起形成环己烯环。此外，当X为氮原子时，R5到R7或R5到R6可能与结合在一起的氮原子形成杂环}。
• Heterocyclic substituted triazolyl phosphorous compounds, insecticidal compositions containing them and method for controlling insects
  申请人：THE DOW CHEMICAL COMPANY

  公开号：EP0010891A1

  公开（公告）日：1980-05-14

  Pyridyl, pyridazinyl, pyrimidinyl and pyrazinyl substituted triazolyl phosphorothioates, insecticidal compositions containing them and method for controlling insects. These compounds and compositions are especially effective in controlling German cockroaches, cooling moth, Western spotted cucumber beetle, beet armyworm, tobacco budworm, green peach aphid and two spotted spider mite while having low toxicity to warm-blooded animals.

  吡啶基、哒嗪基、嘧啶基和吡嗪基取代的三唑基硫代磷酸酯、含有它们的杀虫组合物和控制昆虫的方法。这些化合物和组合物对控制德国蟑螂、冷却蛾、西斑黄瓜甲虫、甜菜夜蛾、烟草芽虫、绿桃蚜和双斑蜘蛛螨特别有效，同时对温血动物毒性低。
• Novel disulfonic acid ester as an additive for an electrolyte for a lithium secondary battery
  申请人：Wako Pure Chemical Industries, Ltd.

  公开号：EP2821395A2

  公开（公告）日：2015-01-07

  Object To provide a method for producing a bis-quaternary ammonium salt efficiently and a novel synthetic intermediate thereof. Solution The present invention relates to a method for producing a bis-quaternary ammonium salt represented by a general formula [3] which comprises reacting a disulfonic acid ester represented by a general formula [1] (in the formula, definitions of two R1's and T are as described in Claim 1) with a tertiary amine represented by a general formula [2] (in the formula, definitions of R3 to R5 are as described in Claim 1), and a novel disulfonic acid ester represented by a general formula [1'] (in the formula, two R16's represent independently a halogen atom or a C1-C3 fluoroalkyl group, and two m's represent independently an integer of 1 to 5) as an additive for an electrolyte for a lithium secondary battery.

  目的 提供一种高效生产双季铵盐的方法及其新型合成中间体。 本发明涉及一种生产通式[3]代表的双季铵盐的方法，该方法包括将通式[1]代表的二磺酸酯（式中，两个 R1 和 T 的定义如权利要求 1 所述）与通式[2]代表的叔胺（式中、R3至R5的定义如权利要求1所述），以及通式[1']代表的新型二磺酸酯（式中，两个R16独立地代表卤素原子或C1-C3氟烷基，两个m独立地代表1至5的整数），作为锂二次电池电解液的添加剂。