丁-3-烯基丁-2-炔酸酯 | 143121-28-2

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 中文名称: 丁-3-烯基丁-2-炔酸酯
• 英文名称: homoallyl 2-butynoate
• 英文别名: 2-Butynoic acid, 3-butenyl ester；but-3-enyl but-2-ynoate
• CAS: 143121-28-2
• 化学式: C₈H₁₀O₂
• 分子量: 138.166
• InChiKey: WZZFDXLMTMFDAO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  10
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  丁-3-烯基丁-2-炔酸酯 在 dicobalt octacarbonyl 、 N-甲基吗啉氧化物 作用下， 生成 7-Methyl-3,4,4a,5-tetrahydro-cyclopenta[c]pyran-1,6-dione
  参考文献：
  名称：

  Pauson-Khand reaction with electron-deficient alkynes

  摘要：

  Cobalt carbonyl complexes of electron-deficient internal alkynes undergo Pauson-Khand cycloaddition efficiently and regioselectively.

  DOI：

  10.1021/jo00046a001

文献信息

• Selective ene-yne coupling-functionalization: A new strategy in constructing heterocycles
  作者：Zhong Wang、Xiyan Lu

  DOI：10.1016/0040-4020(95)00035-7

  日期：1995.2

  Fluorinated derivatives of 3-alkylidene-2(3H)-dihydrofuranone have been synthesized by sodium dithionite initiated tandem perfluoroalkylation-cyclization of allylic 2-alkynoates in fair to good yield and high stereoselectivity. Fluorinated 3-alkylidene-2(3H)-pyrrolidone derivatives were prepared similarly. A mechanistic rationale concerning the different radical steps and the differences between esters

  通过连二亚硫酸钠引发的烯丙基2-链烷酸酯的串联全氟烷基化-环化反应合成了3-亚烷基-2（3H）-二氢呋喃酮的氟化衍生物，其收率相当好且具有高立体选择性。类似地制备氟化的3-亚烷基-2（3H）-吡咯烷酮衍生物。给出了关于不同的自由基步骤以及酯和酰胺之间的差异的机械原理。
• ELECTROLYTIC SOLUTION, ELECTROCHEMICAL DEVICE, LITHIUM ION SECONDARY BATTERY, AND MODULE
  申请人：DAIKIN INDUSTRIES, LTD.

  公开号：US20200280096A1

  公开（公告）日：2020-09-03

  An electrolyte solution containing a compound represented by the following formula (1): wherein R 101 and R 102 are the same as or different from each other and are each a hydrogen atom, a fluorine atom, or an alkyl group optionally containing a fluorine atom; and R 103 is an alkyl group or an organic group containing an unsaturated carbon-carbon bond. Also disclosed is an electrochemical device and lithium ion secondary battery including the electrolyte solution, and a module including the electrochemical device or lithium ion secondary battery.

  一种电解质溶液，包含由以下化学式（1）表示的化合物：其中R101和R102彼此相同或不同，分别为氢原子、氟原子或含有氟原子的烷基基团；R103为烷基基团或含有不饱和碳-碳键的有机基团。还公开了包括该电解质溶液的电化学器件和锂离子二次电池，以及包括电化学器件或锂离子二次电池的模块。
• NON-AQUEOUS ELECTROLYTIC SOLUTION, ELECTROCHEMICAL ELEMENT USING SAME, AND ALKYNYL COMPOUND USED THEREFOR
  申请人：Abe Koji

  公开号：US20120301797A1

  公开（公告）日：2012-11-29

  The present invention provides an excellent nonaqueous electrolytic solution capable of improving low-temperature and high-temperature cycle properties and load characteristics after high-temperature charging storage, an electrochemical element using it, and an alkynyl compound used for it. The nonaqueous electrolytic solution of the present invention comprises containing at least one alkynyl compound represented by the following general formula (I) in an amount of from 0.01 to 10% by mass in the nonaqueous electrolytic solution. R 1 (O) n —X 1 —R 2 (I) (In the formula, X 1 represents a group —C(═O)—, a group —C(═O)—C(═O)—, a group —S(═O) 2 —, a group —P(═O) (—R 3 )—, or a group —X 2 —S(═O) 2 O—. R 1 represents an alkenyl group, a formyl group, an alkyl group, an acyl group, an arylcarbonyl, an alkanesulfonyl group, an alkynyloxysulfonyl group, an arylsulfonyl group, a dialkylphosphoryl group, an alkyl(alkoxy)phosphoryl group, or a dialkoxyphosphoryl group; R 2 represents an alkynyl group or an alkynyloxy group; R 3 represents an alkyl group, an alkenyl group, an alkynyl group, an aryl group, an alkoxy group, an alkenyloxy group, an alkynyloxy group, or an aryloxy group; n indicates 0 or 1.

  本发明提供了一种优秀的非水电解质溶液，能够改善低温和高温循环性能以及高温充电存储后的负载特性，以及使用它的电化学元件和用于它的炔基化合物。本发明的非水电解质溶液包括以下通式（I）表示的至少一种炔基化合物，其在非水电解质溶液中的质量分数为0.01至10%。R1（O）n—X1—R2（I）（在式中，X1表示基团—C(═O)—，基团—C(═O)—C(═O)—，基团—S(═O)2—，基团—P(═O)(—R3)—，或基团—X2—S(═O)2O—。R1表示烯基基团，甲酰基团，烷基基团，酰基团，芳基羰基，烷烷基磺酰基，炔氧基磺酰基，芳基磺酰基，二烷基磷酰基，烷基(烷氧基)磷酰基，或二烷氧基磷酰基；R2表示炔基团或炔氧基团；R3表示烷基，烯基，炔基，芳基，烷氧基，烯氧基，炔氧基，或芳氧基；n表示0或1。
• ELECTROLYTE FOR LITHIUM ION SECONDARY BATTERY, LITHIUM ION SECONDARY BATTERY, AND MODULE
  申请人：DAIKIN INDUSTRIES, LTD.

  公开号：US20200203769A1

  公开（公告）日：2020-06-25

  An electrolyte solution for a lithium ion secondary battery, containing a compound (1) represented by the following formula (1): wherein R 1 and R 2 are each independently a C1-C4 alkyl group optionally containing an ether bond, and wherein chloride ion is present at a concentration of 1.0×10 −6 to 1.0×10 3 ppm. Also disclosed is an electrolyte solution for a lithium ion secondary battery, containing an imidazolium cation (1-1) represented by the following formula (1-1), a bis(oxalato)borate anion, and a hexafluorophosphate anion, the formula (1-1) being: wherein R 1 and R 2 are each independently a C1-C4 alkyl group optionally containing an ether bond, and wherein chloride ion is present at a concentration of 1.0×10 −6 to 1.0×10 3 ppm.

  一种用于锂离子二次电池的电解质溶液，包含一种由以下化学式（1）表示的化合物（1）：其中R1和R2分别独立地是含有醚键的C1-C4烷基基团，并且氯化物离子的浓度为1.0×10-6至1.0×103ppm。还公开了一种用于锂离子二次电池的电解质溶液，包含由以下化学式（1-1）表示的咪唑阳离子（1-1），一种双（草酸盐）硼酸根离子和一种六氟磷酸根离子，其中化学式（1-1）为：其中R1和R2分别独立地是含有醚键的C1-C4烷基基团，并且氯化物离子的浓度为1.0×10-6至1.0×103ppm。
• ELECTROLYTE, ELECTROCHEMICAL DEVICE, LITHIUM ION SECONDARY BATTERY, AND MODULE
  申请人：DAIKIN INDUSTRIES, LTD.

  公开号：US20210246098A1

  公开（公告）日：2021-08-12

  An electrolyte solution containing a compound represented by the following formula (1). In the formula, Rf 101 is CF 3 —, CF 2 H—, or CFH 2 —, and R 101 is an optionally fluorinated C2-C5 alkenyl group or an optionally fluorinated C2-C8 alkynyl group and optionally contains Si in a structure:

  含有以下公式（1）所代表的化合物的电解质溶液。在该公式中，Rf101是CF3—、CF2H—或CFH2—，而R101是一个可选择氟化的C2-C5烯基或一个可选择氟化的C2-C8炔基，并且在结构中可含有Si。