1-戊磺酸甲酯 | 2697-53-2

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机磺酸及其衍生物
• 中文名称: 1-戊磺酸甲酯
• 英文名称: methyl 1-pentanesulfonate
• 英文别名: Pentan-sulfonsaeure-(1)-methylester；1-Pentan-sulfonsaeure-methylester；Pentan-1-sulfonsaeure-methylester；Pentan-1-sulfonsaeuremethylester；Pentan-sulfonsaeure-methylester；methyl pentane-1-sulfonate
• CAS: 2697-53-2
• 化学式: C₆H₁₄O₃S
• 分子量: 166.241
• InChiKey: DYIPCFVDRNAQJE-UHFFFAOYSA-N

物化性质

• 沸点：
  81-83 °C(Press: 2 Torr)
• 密度：
  1.072±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  10
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  51.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-戊磺酸甲酯 在 四氯化钛 作用下， 以 四氯化碳 为溶剂， 反应 3.0h， 生成 氯甲烷 、
  参考文献：
  名称：

  Vizgert, R. V.; Polyakova, E. V.; Pekhtereva, T. M., Journal of Organic Chemistry USSR (English Translation), 1983, vol. 19, # 8, p. 1421 - 1425

  摘要：

  DOI：
• 作为产物：
  描述：

  二戊基二硫醚 在 lead(IV) acetate 、 potassium permanganate 作用下， 以 氯仿 、 丙酮 为溶剂， 生成 1-戊磺酸甲酯
  参考文献：
  名称：

  Organic Disulfides and Related Substances. VII. Reaction of Lead Tetraacetate with Alkyl Disulfides^1,2

  摘要：

  DOI：

  10.1021/jo01056a508

文献信息

• [EN] TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES<br/>[FR] COMPOSÉS DE TÉTRAZOLINONE ET LEUR UTILISATION EN TANT QUE PESTICIDES
  申请人：SUMITOMO CHEMICAL CO

  公开号：WO2013162072A1

  公开（公告）日：2013-10-31

  The present invention provides a compound having an excellent efficacy for controlling pests. A tetrazolinone compound of a formula (1): [wherein R1 represents an C6-C16 aryl group, an C1-C12 alkyl group, or a C3-C12 cycloalkyl group, etc., which each optionally be substituted; R2, R3, R4 and R5 represent independently of each other a hydrogen atom, a halogen atom or an C1-C3 alkyl group, etc.; R6 represents an C1-C6 alkyl group, a C3-C6 cycloalkyl group, a halogen atom, a C1-C6 haloalkyl group, an C2-C6 alkenyl group, an C1-C6 alkoxy group, or a C1-C6 haloalkoxy group, etc.; R7, R8 and R9 represent independently of each other a hydrogen atom, a halogen atom, or an C1-C4 alkyl group, etc.; X represents an oxygen atom or a sulfur atom; and R10 represents an C1-C6 alkyl group, etc.] shows an excellent controlling efficacy on pests.

  本发明提供了一种具有优异杀虫效果的化合物。公式（1）的四唑酮化合物：[其中R1代表C6-C16芳基、C1-C12烷基或C3-C12环烷基等，每个都可以选择性地被取代；R2、R3、R4和R5分别独立地代表氢原子、卤素原子或C1-C3烷基等；R6代表C1-C6烷基、C3-C6环烷基、卤素原子、C1-C6卤代烷基、C2-C6烯基、C1-C6烷氧基或C1-C6卤代烷氧基等；R7、R8和R9分别独立地代表氢原子、卤素原子或C1-C4烷基等；X代表氧原子或硫原子；R10代表C1-C6烷基等]在杀虫方面表现出优异的控制效果。
• Studies on chemical carcinogens and mutagens. XXV. Chemoselectivity of alkyl sulfonates toward 4-(p-nitrobenzyl)pyridine (NBP) in phosphate buffer.
  作者：SHINICHI NINOMIYA、KOHFUKU KOHDA、YUTAKA KAWAZOE

  DOI：10.1248/cpb.32.1326

  日期：——

  Methyl, ethyl, and isopropyl esters of six alkanesulfonic acids and five p-substituted benzenesulfonic acids were synthesized and their alkylating abilities were evaluated in terms of the chemoselectivity toward 4-(p-nitrobenzyl) pyridine (NBP) in phosphate buffer (pH 6.0) containing 60% acetone. The chemoselectivity constant toward NBP, SNBP, was defined as the logarithm of the ratio of the molar fraction of an alkylating sulfonate which is consumed for alkylation of NBP versus the molar fraction of the residual alkylating agent which is hydrolyzed in the buffer medium. It was found that SNBP was not only markedly dependent on the structure of the alkyl moiety of the molecule, but also appreciably dependent on the electronic nature of the leaving sulfonic acid moiety. The structure-chemoselectivity relationship is discussed.

  合成了六种烷基磺酸和五种对取代苯磺酸的甲基、乙基和异丙基酯，并评估了它们在含有60%丙酮的磷酸盐缓冲液（pH 6.0）中对4-(对硝基苄基)吡啶（NBP）的烷基化能力。对NBP的化学选择性常数SNBP被定义为用于NBP烷基化的烷基磺酸的摩尔分数与在缓冲介质中水解的剩余烷基化试剂的摩尔分数之比的对数。研究发现，SNBP不仅显著依赖于分子中烷基部分的结构，还明显依赖于离去的磺酸部分的电子性质。讨论了结构与化学选择性之间的关系。
• TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES
  申请人：SUMITOMO CHEMICAL COMPANY, LIMITED

  公开号：US20150051171A1

  公开（公告）日：2015-02-19

  The present invention provides a compound having an excellent efficacy for controlling pests. A tetrazolinone compound of a formula (1): [wherein R1 represents an C6-C16 aryl group, an C1-C12 alkyl group, or a C3-C12 cycloalkyl group, etc., which each optionally be substituted; R2, R3, R4 and R5 represent independently of each other a hydrogen atom, a halogen atom or an C1-C3 alkyl group, etc.; R6 represents an C1-C6 alkyl group, a C3-C6 cycloalkyl group, a halogen atom, a C1-C6 haloalkyl group, an C2-C6 alkenyl group, an C1-C6 alkoxy group, or a C1-C6 haloalkoxy group, etc.; R7, R8 and R9 represent independently of each other a hydrogen atom, a halogen atom, or an C1-C4 alkyl group, etc.; X represents an oxygen atom or a sulfur atom; and R10 represents an C1-C6 alkyl group, etc.] shows an excellent controlling efficacy on pests.

  本发明提供了一种具有优异的杀虫功效的化合物。公式（1）的四唑烷酮化合物：[其中，R1代表C6-C16芳基，C1-C12烷基或C3-C12环烷基等，每个都可以选择性地被取代；R2、R3、R4和R5分别独立地表示氢原子、卤素原子或C1-C3烷基等；R6表示C1-C6烷基，C3-C6环烷基，卤素原子，C1-C6卤代烷基，C2-C6烯基，C1-C6烷氧基或C1-C6卤代烷氧基等；R7、R8和R9独立地表示氢原子、卤素原子或C1-C4烷基等；X表示氧原子或硫原子；R10表示C1-C6烷基等]对害虫具有优异的控制功效。
• Asinger,F. et al., Chemische Berichte, 1965, vol. 98, p. 2154 - 2158
  作者：Asinger,F. et al.

  DOI：——

  日期：——
• The chemistry of terpenes—VIII
  作者：Trevour J. Johnson、R.Alan Jones

  DOI：10.1016/0040-4020(78)80050-7

  日期：1978.1