potassium propylate | 16872-93-8

• 分子结构分类: 有机化合物 - 有机盐 - 有机金属盐
• 英文名称: potassium propylate
• 英文别名: potassium propoxide；potassium n-propanolate；Potassium n-propoxide, in n-propanol；potassium;propan-1-olate
• CAS: 16872-93-8
• 化学式: C₃H₇O*K
• 分子量: 98.1863
• InChiKey: AWDMDDKZURRKFG-UHFFFAOYSA-N

物化性质

• 闪点：
  22°C (72°F)

计算性质

• 辛醇/水分配系数(LogP)：
  -3.24
• 重原子数：
  5
• 可旋转键数：
  1
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  23.1
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 海关编码：
  2915900090

反应信息

• 作为反应物：
  描述：

  potassium propylate 在 水 作用下， 生成 丙醇
  参考文献：
  名称：

  �ber die Produkte der Reaktion von Methylbromid und Ethylbromid mit Kaliumhydroxid in w��rig-methanolischen L�sungen und den Verlauf dieser SN2-Reaktion

  摘要：

  Investigations of the reaction of methyl bromide and ethyl bromide with potassium hydroxide in methanolic and aqueous methanolic solutions show that the main products of these reactions are dimethyl ether and ethylmethyl ether. The reaction rates measured in methanolic or aqueous methanolic solutions are the same whether potassium hydroxide or potassium methoxide are used. These results are caused by an equilibrium between hydroxide and methoxide ions with which we could establish the equilibrium constant near 0.6. This means that a solution of sodium hydroxide c=0.1 mol l(-1) in methanol contains roughly 99.8% of methoxide ions. The reaction rates in methanolic as well as in aqueous methanolic solutions are strict second order. The reaction rate measured at several temperatures permitted the calculation of E-A(not equal), Delta H-not equal, Delta S-not equal and Delta G(not equal). Furthermore the kinetic investigations show that the nucleophilicity of methoxide ions is lower compared to hydroxide ions. The calculation of the Swain-Scott-parameter n results in a nucleophilicity scale in order to methoxide, hydroxide, ethoxide ions. The kinetic investigations of the reaction of ethyl bromide with methoxide and hydroxide ions in methanolic solutions demonstrate that at high temperatures the rate constant of methoxide ions is higher than that of hydroxide ions. The opposite case can be observed at lower temperatures. At the temperature of 20 degrees C the rate constants of both reactions are equal. This is to do with the isokinetic effect which one is rarely able to observe at room temperatures.

  DOI：

  10.1002/prac.19983400111
• 作为产物：
  描述：

  丙醇 在 氢氧化钾 作用下， 以 水 为溶剂， 生成 potassium propylate
  参考文献：
  名称：

  �ber die Produkte der Reaktion von Methylbromid und Ethylbromid mit Kaliumhydroxid in w��rig-methanolischen L�sungen und den Verlauf dieser SN2-Reaktion

  摘要：

  Investigations of the reaction of methyl bromide and ethyl bromide with potassium hydroxide in methanolic and aqueous methanolic solutions show that the main products of these reactions are dimethyl ether and ethylmethyl ether. The reaction rates measured in methanolic or aqueous methanolic solutions are the same whether potassium hydroxide or potassium methoxide are used. These results are caused by an equilibrium between hydroxide and methoxide ions with which we could establish the equilibrium constant near 0.6. This means that a solution of sodium hydroxide c=0.1 mol l(-1) in methanol contains roughly 99.8% of methoxide ions. The reaction rates in methanolic as well as in aqueous methanolic solutions are strict second order. The reaction rate measured at several temperatures permitted the calculation of E-A(not equal), Delta H-not equal, Delta S-not equal and Delta G(not equal). Furthermore the kinetic investigations show that the nucleophilicity of methoxide ions is lower compared to hydroxide ions. The calculation of the Swain-Scott-parameter n results in a nucleophilicity scale in order to methoxide, hydroxide, ethoxide ions. The kinetic investigations of the reaction of ethyl bromide with methoxide and hydroxide ions in methanolic solutions demonstrate that at high temperatures the rate constant of methoxide ions is higher than that of hydroxide ions. The opposite case can be observed at lower temperatures. At the temperature of 20 degrees C the rate constants of both reactions are equal. This is to do with the isokinetic effect which one is rarely able to observe at room temperatures.

  DOI：

  10.1002/prac.19983400111
• 作为试剂：
  描述：

  碳酸二丙酯(DPC) 、 仲辛酮 在 potassium propylate 作用下， 生成 3-oxo-nonanoic acid propyl ester
  参考文献：
  名称：

  Alkyl Carbonates in Synthetic Chemistry. II. Condensation with Ketones. Synthesis of β-Keto Esters¹

  摘要：

  DOI：

  10.1021/ja01853a065

文献信息

• Structure–Activity relationships of 2-substituted 5,7-Diarylcyclopenteno[1,2-b]pyridine-6-carboxylic acids as a novel class of endothelin receptor antagonists
  作者：Kenji Niiyama、Hirobumi Takahashi、Toshio Nagase、Hisaki Kojima、Yuka Amano、Kasumi Katsuki、Takeru Yamakawa、Satoshi Ozaki、Masaki Ihara、Mitsuo Yano、Takahiro Fukuroda、Masaru Nishikibe、Kiyofumi Ishikawa

  DOI：10.1016/s0960-894x(02)00663-7

  日期：2002.11

  lead structure 1 (IC(50)=2.4nM, 170-fold selectivity) by incorporating a substituent such as an alkyl, alkoxy, alkylthio, or alkylamino group into the 2-position of the cyclopenteno[1,2-b]pyridine skeleton was achieved via the key intermediate 8. Introduction of an alkyl group led to the identification of potent ET(A)/ET(B) mixed receptor antagonists, a butyl (2d: IC(50)=0.21nM, 52-fold selectivity)

  描述了新型的内皮素受体拮抗剂2-取代的5,7-二芳基环戊烯[1,2-b]吡啶-6-羧酸的合成与构效关系。通过将取代基（例如烷基，烷氧基，烷硫基或烷基氨基）引入到环戊烯[1,2-b]的2位，衍生化铅结构1（IC（50）= 2.4nM，选择性170倍） ]吡啶骨架是通过关键中间体8实现的。烷基的引入导致鉴定出有效的ET（A）/ ET（B）混合受体拮抗剂，丁基（2d：IC（50）= 0.21nM，52-选择性）和异丁基（2f：IC（50）= 0.32nM，26倍选择性）类似物。相反，伯氨基的安装产生了ET（A）选择性拮抗剂，丙基氨基2p（IC（50）= 0.12nM，选择性520倍）和异丙氨基2q（IC（50）= 0）。10nM，选择性420倍）类似物。这些结果表明，在5，7-二芳基环戊烯[1,2-b]吡啶-6-羧酸的2-位上的取代基在与ET（A）和ET（B）的结合亲和力中起关键作用。受体。
• Synthesis of Potassium Niobate from Metal Alkoxides
  作者：Mostafa M. Amini、Michael D. Sacks

  DOI：10.1111/j.1151-2916.1991.tb07296.x

  日期：1991.1

  Preparation of potassium niobate from metal alkoxides was investigated. Potassium-niobium ethoxide, KNb(OC2H5)6, and potassium-niobium propoxide, KNb(OC3H7)6, were synthesized and subsequently hydrolyzed using several water concentrations (0.75 to 6.0 mol of water/(mol of alkoxide)). Rapid precipitation of potassium-deficient particles occurred when higher concentrations of water were used. This resulted

  研究了从金属醇盐制备铌酸钾。合成了乙醇钾铌 KNb(OC2H5)6 和丙醇钾铌 KNb(OC3H7)6，然后使用几种水浓度（0.75 至 6.0 摩尔水/（醇的摩尔数））进行水解。当使用较高浓度的水时，会发生缺钾颗粒的快速沉淀。这导致在煅烧后形成多相材料，因为 X 射线衍射表明同时存在 KNbO3 和缺钾氧化物相。单相 KNbO3 可以通过两种方法制备：(1) KNb(OC3H7)6/丙醇溶液的水解，使用 1 mol 水（每摩尔丙醇）作为水/丙醇溶液添加；（2）KNb(OC2H5)6/乙醇溶液的水解，使用 1 mol 水（每摩尔乙醇）作为水/甲醇溶液加入。后一种方法为形成单相 KNbO3 提供了煅烧温度低和煅烧后失重低的优点。
• Kinetics of the alkaline hydrolysis of alkoxyfluoroborate anions
  作者：V. N. Plakhotnik、N. G. Parkhomenko、L. V. Karchenko、V. V. Rossikhin、G. E. Vaiman、V. A. Panichkina

  DOI：10.1007/bf00580312

  日期：——

  The kinetics of the alkaline hydrolysis of BF3OR− anions (R=C2H5, C3H7) have been investigated. It has been shown that the reaction mechanism includes the solvolytic dissociation of a B-F bond and that the processes resulting in the replacement of the first fluoride ion act as the rate-limiting step. The influence of the electron-donor ability of the substituents on the rate of processes has been studied

  已经研究了 BF3OR-阴离子（R=C2H5，C3H7）的碱性水解动力学。已经表明，反应机理包括 BF 键的溶剂分解，并且导致第一个氟离子置换的过程作为限速步骤。研究了取代基的给电子能力对过程速率的影响，并将烷氧基氟硼酸盐的反应性与量子化学计算的数据进行了比较，该数据在Dewar 的 MNDO 方法对结构参数进行了完全优化。
• Decomposition of the crown ether ring in the reaction of K−, K+(15-crown-5)2 with oxetane
  作者：Zbigniew Grobelny、Andrzej Stolarzewicz、Adalbert Maercker

  DOI：10.1016/s0022-328x(00)00229-1

  日期：2000.6

  oxacyclic rings occurs in the reaction of K−, K+(15-crown-5)2 with oxetane in tetrahydrofuran solution. Oxetane ring opening leads to the formation of organometallic compounds, which react with the crown molecule. Potassium methoxide, potassium n-propoxide as well as potassium tetra(ethylene glycoxide) vinyl ether are the main reaction products. It means that crown ether can act both as an activator and as

  两个氧杂环环的裂解在K的反应发生-，K +（15-冠-5）2用在四氢呋喃溶液中的氧杂环丁烷。氧杂环丁烷开环导致形成有机金属化合物，该有机金属化合物与冠状分子反应。甲醇钾，正丙醇钾以及四（乙二醇乙二醇）乙烯基醚钾是主要反应产物。这意味着冠醚在研究条件下既可以起到活化剂的作用，也可以起到试剂的作用。
• Preparation of 2-amino-4-fluoropyrimidine derivatives
  申请人：BASF Aktiengesellschaft

  公开号：US05011927A1

  公开（公告）日：1991-04-30

  A process for the preparation of 2-amino-4-fluoropyrimidine derivatives of the general formula I ##STR1## (R.sup.1 hydrogen, alkyl, alkenyl, alkynyl, cycloalkyl, phenyl or benzyl, it being possible for the aromatic rings to be substituted, and R.sup.2 one of the R.sup.1 radicals with the exception of hydrogen) by reaction of 2,4,6-trifluoropyrimidine in an aprotic polar organic solvent with an amine of the formula III to give the 2-aminodifluoropyrimidine derivative IVa mixed with the 4-aminodifluoropyrimidine derivative IVb, separation of IVa out of the resulting reaction mixture and subsequent reaction of IVa with an alcohol in the presence of a base at from 0.degree. to 180.degree. C. to give the 2-amino-4-fluoropyrimidine derivative I, by carrying out the reaction of 2,4,6,-trifluoropyrimidine II with the amine III at from -80.degree. C. to -15.degree. C., and reacting the 2-aminodifluoropyrimidine derivative IVa with the alcohol in the presence of an organic base to give the 2-amino-4-fluoropyrimidine derivative I.

  本发明涉及一种制备一般式I的2-氨基-4-氟嘧啶衍生物的方法，其中：##STR1##（其中R1为氢、烷基、烯基、炔基、环烷基、苯基或苄基，芳香环可以被取代，R2为除氢外的R1基团之一），通过在无水极性有机溶剂中将2,4,6-三氟嘧啶与公式III的胺反应，得到2-氨基二氟嘧啶衍生物IVa和4-氨基二氟嘧啶衍生物IVb的混合物，从所得反应混合物中分离出IVa，然后在0℃至180℃下，通过在碱的存在下将IVa与醇反应，制备2-氨基-4-氟嘧啶衍生物I。通过在-80℃至-15℃下将2,4,6-三氟嘧啶II与胺III反应，并在有机碱的存在下将2-氨基二氟嘧啶衍生物IVa与醇反应，制备2-氨基-4-氟嘧啶衍生物I。