potassium 2-methyl-2-propanethiolate | 10577-48-7

• 分子结构分类: 有机化合物 - 有机盐 - 有机金属盐
• 英文名称: potassium 2-methyl-2-propanethiolate
• 英文别名: potassium tert-butylthiolate；potassium tert-butanethiol；2-methyl-propane-2-thiol; potassium salt；potassium;2-methylpropane-2-thiolate
• CAS: 10577-48-7
• 化学式: C₄H₉S*K
• 分子量: 128.28
• InChiKey: GDAMWPQNFIQQAB-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -1.66
• 重原子数：
  6
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  benzyl thiosulphate 、 potassium 2-methyl-2-propanethiolate 以 水 为溶剂， 反应 1.0h， 生成 benzyl t-butyl disulfide
  参考文献：
  名称：

  丁二酸盐合成不对称二硫化物的介质效应

  摘要：

  本研究使我们能够证明在使用邦特盐法制备不对称二硫化物时，反应介质的极性以及α-卤代甲苯的对位取代基的给电子和吸电子特性的影响。使用DMSO作为反应溶剂不仅允许解离钠盐，而且还允许使用常规方法从不适当的化合物合成不对称的二硫化物。

  DOI：

  10.1016/0040-4039(94)88513-3

文献信息

• New Synthesis and Some Reactions of Vinyl Arenecarbodithioates. Wittig Reaction of (Triphenylphosphonio)methyl Arenecarbodithioate Iodides
  作者：Masaru Ishida、Koh-ichi Kaga、Hiroyuki Sato、Masato Yokoi、Shinzi Kato

  DOI：10.1246/bcsj.59.1403

  日期：1986.5

  Wittig reaction of new phosphonium salts, (triphenylphosphonio)methyl arenecarbodithioate iodides, with variety of aldehydes gave the corresponding vinyl arenecarbodithioates in moderate to good yields. Reaction of the vinyl dithiocarboxylate with nucleophiles such as potassium alkoxide or alkanethiolate was investigated and found to give the thioacylated products in high yields. Ab initio molecular

  新的鏻盐，（三苯基膦基）甲基芳烃碳二硫代碘化物与各种醛的 Wittig 反应以中等至良好的产率得到相应的乙烯基芳烃二硫代碳酸酯。研究了乙烯基二硫代羧酸酯与亲核试剂如醇钾或链烷硫醇的反应，发现以高产率得到硫代酰化产物。还讨论了模型化合物二硫代甲酸乙烯酯的从头算分子轨道计算。
• Fused pyrimidines. IV. The reaction of 4-alkylthio-2-chloroquinazolines with alkylamines in dimethylformamide.
  作者：HIDEKI MIKI、JUNJI YAMADA

  DOI：10.1248/cpb.30.2313

  日期：——

  The reaction of 4-alkylthio-2-chloroquinazolines with alkylamines in dimethylformamide afforded 2, 4-bis (alkylthio)-, 2-alkylamino-4-alkylthio-, 4-alkylamino-2-chloro-, 4-alkylamino-2-alkylthio-, and 2, 4-bis (alkylamino) quinazolines. The relative easines of displacement of the chlorine and/or the alkylthio group in 4-alkylthio-2-chloroquinazolines depended on the bulkiness rather than the basicity of the alkylamine. A possible reaction mechanism is discussed.

  4-烷硫基-2-氯喹唑啉与烷基胺在二甲基甲酰胺中的反应，生成2,4-双（烷硫基）-、2-烷基氨基-4-烷硫基-、4-烷基氨基-2-氯-、4-烷基氨基-2-烷硫基-以及2,4-双（烷基氨基）喹唑啉。在4-烷硫基-2-氯喹唑啉中，氯和/或烷硫基的取代难易程度取决于烷基胺的体积而非碱性。本文讨论了可能的反应机理。
• 1,2-Dihydro[1,3,2]diazaborolo[1,5-a]pyridines: a novel class of heterocycles
  作者：Lothar Weber、Markus Schnieder、Roland Boese、Dieter Bläser

  DOI：10.1039/b009156l

  日期：——

  yellow wax (5b), respectively. Treatment of 4 with an excess of chlorotrimethylsilane caused a Br/Cl exchange to afford chloro derivative 6. The addition of a methyl group to the boron atom was effected by reaction of heterocycle 4 with methyllithium. The BCN derivative 8 resulted from treatment of 4 with silver cyanide. Reduction of 4 with lithium aluminium hydride gave the 1-hydro-derivative 9, whereas

  一个反应 吡啶碳二胺2- t BuN CHC 5 H 4 N 1a，摩尔当量为三溴化硼得到呈橙色固体状的双环1,3,2-二氮杂硼硼化物2a，而1a和相应的2-（2,6-Me 2 C 6 H 3）N CHC 5 H 4 N 1b具有两个当量的三氟化硼得到非离子黄色加合物3a和3b。这减少己烷浆液中化合物2a，3a和3b与过量的汞合金钠混合导致形成1-X-2-R-1,2-二氢[1,3,2]二氮杂硼硼烷[1,5- a ]吡啶4（X = Br; R =  t Bu），5a（F; t Bu）和5b（F; 2,6-Me 2 C 6 H 3）为黄色油（4a，5a）或黄色蜡（5b）。过量治疗4氯三甲基硅烷引起Br / Cl交换，得到氯衍生物6。加一个甲基硼原子是通过杂环4与甲基锂。BCN衍生物8是由4处理后产生的氰化银。 减少之4与氢化铝锂得到1-氢衍生物9，而BS t Bu化合物由4与KS t Bu的反应获得。对化合物8进行X射线衍射分析。
• Alkali metal reduction of 2-halogeno- and 2-thiolato-2,3-dihydro-1H-1,3,2-diazaboroles
  作者：Lothar Weber、Markus Schnieder、Peter Lönnecke

  DOI：10.1039/b106128n

  日期：2001.12.3

  The reduction of 2-bromo-1,3,2-diazaborole tBuNCHCH(tBu)BBr (4c) with a potassium mirror in 1,2-dimethoxyethane afforded a non-separable 1 ∶ 2 ∶ 1 mixture of the compounds tBuNCHCHN(tBu)BH (5), tBuNCHCHN(tBu)BOCH3 (6) and tBuNCHCHN(tBu)B}2O (7). Reaction of 4c with a potassium–sodium alloy in N,N,N′,N′-tetramethylethylenediamine led to 5 as the major product. 1,3,2-Diazaboroles tBuNCHCHN(tBu)BNMe2 (8) and tBuNCHCHN(tBu)B}2 (9) were spectroscopically identified as minor products. The treatment of 4c with potassium–sodium alloy in toluene solution in the presence of [15]crown-5 yielded a 1 ∶ 1 mixture of 5 and the benzyl derivative tBuNCHCHN(tBu)BCH2Ph (12). The same reaction in toluene-d8 produced the deuterated species 5-d1 and 12-d7. tBuNCHCHN(tBu)BCH3 (17) and 1,4-diazabutadiene (tBuNCH)2 (18) resulted from the treatment of tBuNCHCHN(tBu)BSCH3 (15) with potassium–sodium alloy in n-hexane. In contrast to this, compound 9 was obtained as the main product of the reduction of tBuNCHCHN(tBu)BStBu (16) under similar conditions. The reduction of the 1-bromo-2-tert-butyl-1,2-dihydro[1,3,2]diazaborolo[1,5-a]pyridine (19) smoothly produced the respective diborane(4) derivative (20) which was subjected to X-ray diffraction analysis.

  将2-溴-1,3,2-二氮硼烷tBuNCHCH(tBu)BBr (4c)在1,2-二甲氧基乙烷中用钾镜还原，得到了一个不可分离的1∶2∶1混合物，包含化合物tBuNCHCHN(tBu)BH (5)、tBuNCHCHN(tBu)BOCH3 (6)和tBuNCHCHN(tBu)B}2O (7)。将4c与钾-钠合金在N,N,N′,N′-四甲基乙二胺中反应，主要产物为5。1,3,2-二氮硼烷tBuNCHCHN(tBu)BNMe2 (8)和tBuNCHCHN(tBu)B}2 (9)被光谱学鉴定为次要产物。用钾-钠合金在存在[15]冠-5的甲苯溶液中处理4c，得到了5和苄基衍生物tBuNCHCHN(tBu)BCH2Ph (12)的1∶1混合物。在甲苯-d8中的相同反应产生了去uterated物种5-d1和12-d7。将tBuNCHCHN(tBu)BSCH3 (15)用钾-钠合金在正己烷中处理，得到了tBuNCHCHN(tBu)BCH3 (17)和1,4-二氮丁二烯(tBuNCH)2 (18)。与此相对，在相似条件下，化合物9是tBuNCHCHN(tBu)BStBu (16)还原的主要产物。1-溴-2-叔丁基-1,2-二氢[1,3,2]二氮硼烷[1,5-a]吡啶(19)的还原顺利产生了相应的二硼烷(4)衍生物(20)，并进行了X射线衍射分析。
• MIRC (ichael nitiated ing losure) Reactions Formation of Three, Five, Six and Seven Membered Rings
  作者：R.Daniel Little、James R. Dawson

  DOI：10.1016/s0040-4039(00)92818-1

  日期：1980.1

  The term MIRC reaction is defined. Examples of the construction of three, five, six and seven membered rings using alkylthiolates and LDA as nucleophiles are presented.

  定义了术语MIRC反应。给出了使用烷基硫醇盐和LDA作为亲核试剂构造三，五，六和七元环的实例。