乙基2-溴壬烷-1-酸酯 | 7425-60-7

• 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: 乙基2-溴壬烷-1-酸酯
• 英文名称: ethyl 2-bromononanoate
• 英文别名: 2-bromo-n-nonanoic acid ethyl ester；Ethyl 2-bromononan-1-oate
• CAS: 7425-60-7
• 化学式: C₁₁H₂₁BrO₂
• 分子量: 265.191
• InChiKey: QARKIRQNOLQDFJ-UHFFFAOYSA-N

物化性质

• 保留指数：
  1582

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  14
• 可旋转键数：
  9
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2915900090

反应信息

• 作为反应物：
  描述：

  乙基2-溴壬烷-1-酸酯 在 lithium aluminium tetrahydride 作用下， 以 乙醇 为溶剂， 反应 14.0h， 生成 2-phenylsulfanylnonan-1-ol
  参考文献：
  名称：

  Richardson, Stewart K.; Sabol, Mark R.; Watt, David S., Synthetic Communications, 1989, vol. 19, # 3and4, p. 359 - 368

  摘要：

  DOI：
• 作为产物：
  描述：

  壬酸 生成 乙基2-溴壬烷-1-酸酯
  参考文献：
  名称：

  Blaise, Bulletin de la Societe Chimique de France, 1904, vol. <3>31, p. 492

  摘要：

  DOI：

文献信息

• Unnatural nucleosides and nucleotides. III. Preparation of 2-14C and 4-14C labelled 5-alkyluracils and 5-alkyl-2′-deoxyuridines
  作者：A. Szabolcs、G. Kruppa、J. Sági、L. Ötvös

  DOI：10.1002/jlcr.2580140509

  日期：——

  2-14C Labelled 5-alkyluracils were prepared by condensation of the diethylacetals of α-formyl-carbonic acid esters with 14C-thiourea. Compounds labelled at 4-C were synthesized by condensation of the labelled carboxylic acid derivatives with thiourea. β-Anomers of 5-alkyl-2′-deoxyuridines were obtained in a fairly good radiochemical yield. Alkyl substituents ranged from methyl to tetradecyl, isopropyl and tertbutyl.

  2-14C标记的5-烷基尿嘧啶是通过α-甲酰-羧酸酯的二乙基乙缩醛与14C-硫脲的缩合反应制备的。标记在4-C的化合物是通过标记的羧酸衍生物与硫脲缩合合成的。5-烷基-2'-脱氧尿苷的β-异构体获得了相当不错的放射化学产率。烷基取代基的范围从甲基到十四烷、异丙基和叔丁基。
• SYNTHESIS OF 2,4-THIAZOLIDINEDIONE-2-AZINES AND 2,4-THIAZOLIDINEDIONE-2-DIMETHYLHYDRAZONES FROM THIOCYANOESTERS AND HYDRAZINES
  作者：Paul E. Gagnon、Jean-L. Boivin、Gordon M. Brown

  DOI：10.1139/v59-231

  日期：1959.9.1

  Thiocyanoesters were prepared from 2-bromoesters and potassium thiocyanate, and a series of substituted thiazolidinedione-2-azines was obtained from these thiocyanoesters using hydrazine hydrate. The structure of the thiazolidinedione-2-azines was determined by hydrolysis using hydrochloric acid in ethanol. The reaction of thiocyanoesters with dimethylhydrazine, generally speaking, was analogous to their reaction with hydrazine, but there were many differences. Only 1 mole of alcohol was eliminated rather than 2, and there was no apparent reaction for the ethyl 2-thiocyanononanoate and the methyl phenylthiocyanoacetate. Furthermore, the reaction of methyl 2-thiocyanoisobutyrate with dimethylhydrazine did not give a 2,4-thiazolidinedione-2-dimethylhydrazone but rather an addition product, N-dimethylamino-S-(1-methyl-1-carbomethoxy) ethylisothiourea. To illustrate the reactivity of the thiocyano group, benzyl thiocyanate was treated with hydrazine and the product was found to be dibenzyldisulphide, and ammonia was evolved. Similarly, trimethylene dithiocyanate gave the dimer of trimethylene disulphide. Finally, benzyl thiocyanate formed an addition product with dimethylhydrazine which was N-dimethylamino-S-benzylthiourea.

  硫氰酸酯由2-溴酯和硫氰酸钾制备，并通过硫氰酸酯与水合肼反应获得一系列取代的噻唑烷二酮-2-嗪。噻唑烷二酮-2-嗪的结构通过在乙醇中使用盐酸水解确定。硫氰酸酯与二甲基肼的反应，一般来说，类似于它们与肼的反应，但存在许多差异。只有1摩尔的醇被消除而不是2摩尔，并且乙基2-硫氰基壬酸酯和甲基苯基硫氰基乙酸酯没有明显的反应。此外，甲基2-硫氰基异丁酸酯与二甲基肼的反应没有生成2,4-噻唑烷二酮-2-二甲基脒，而是生成了加成产物，N-二甲氨基-S-(1-甲基-1-羰基甲氧基)乙基异硫脲。为了说明硫氰酸基团的反应性，苯基硫氰酸酯与肼反应，产物被发现是二苯基二硫化物，并释放出氨。同样，三甲基二硫氰酸酯生成了三甲基二硫化物的二聚体。最后，苯基硫氰酸酯与二甲基肼形成了一个加成产物，即N-二甲氨基-S-苯基硫脲。
• Intermediates for making N-aryl and N-heteroarylamide and urea
  申请人：Pfizer Inc.

  公开号：US05362878A1

  公开（公告）日：1994-11-08

  Compounds of the formula ##STR1## wherein R.sup.21 and R.sup.22 are as defined in the specification which are intermediates useful in the preparation of compounds of the formula ##STR2## and the pharmaceutically acceptable salts thereof, wherein Q and R.sup.1 are as defined in the specification. The compounds of formula I are inhibitors of acyl coenzyme A: cholesterol acyltransferase (ACAT) and are useful as hypolipidemic and antiatherosclerosis agents.

  式为##STR1##的化合物，其中R.sup.21和R.sup.22如规范中所定义，这些化合物是制备式为##STR2##及其药用可接受盐的中间体，在该中间体中Q和R.sup.1如规范中所定义。式I的化合物是酰辅酶A：胆固醇酰基转移酶（ACAT）的抑制剂，可用作降脂和抗动脉粥样硬化药物。
• Process for the manufacture of new carboxylic acids
  申请人：Ciba-Geigy AG

  公开号：US04115416A1

  公开（公告）日：1978-09-19

  .alpha.-Phenoxyacetic acids, in which the .alpha.-position is substituted by an alkyl residue with 5 to 12 carbon atoms and the phenyl residue is substituted by a cycloaliphatic hydrocarbon residue which is unsaturated in the 1-position and is only singly unsaturated, and their esters and amides are useful as hypolipidaemic agents.

  .alpha.-苯氧乙酸衍生物，其中.alpha.-位置被具有5到12个碳原子的烷基残基取代，苯基残基被只在1-位置单不饱和的环脂肪烃残基取代，它们的酯和酰胺是有用的降血脂剂。
• Oxy-alkylamino carboxylic esters
  申请人：Beecham Group Limited

  公开号：US04299970A1

  公开（公告）日：1981-11-10

  Compounds of formula (I): ##STR1## wherein: X is CO, protected CO, CROH in which R is hydrogen or C.sub.1-4 alkyl and in which the OH moiety may be protected; Y is CH.sub.2 CH.sub.2 or CH.dbd.CH; Z is CO or CH.sub.2 ; n is 1 to 8; m is 1, 2 or 3; R.sub.1 is hydrogen, CH.sub.2 OH, CH.sub.2 OH in which the OH moiety is protected, CO.sub.2 W wherein W is hydrogen or CO.sub.2 W represents an ester group in which the ester moiety contains from 1 to 12 carbon atoms, or CONH.sub.2 ; R.sub.2 is hydrogen, C.sub.1-4 alkyl, or taken together with R.sub.3 and the carbon atom to which it is attached represents a carbonyl group; R.sub.3 is hydrogen, hydroxy or protected hydroxy; R.sub.4 is hydrogen or C.sub.1-9 alkyl; and salts thereof--have useful pharmacological properties.

  式(I)的化合物：其中：X为CO，被保护的CO，CR-OH，其中R为氢或C.sub.1-4烷基，且OH基团可能被保护；Y为CH.sub.2 CH.sub.2或CH.dbd.CH；Z为CO或CH.sub.2；n为1至8；m为1、2或3；R.sub.1为氢，CH.sub.2 OH，被保护的CH.sub.2 OH，CO.sub.2 W，其中W为氢或CO.sub.2 W代表一个酯基，其中酯基含有1至12个碳原子，或CONH.sub.2；R.sub.2为氢，C.sub.1-4烷基，或与R.sub.3和其连接的碳原子一起代表一个羰基；R.sub.3为氢，羟基或被保护的羟基；R.sub.4为氢或C.sub.1-9烷基；及其盐--具有有用的药理学性质。