1,4-环己烷二甲醇单丙烯酸酯 | 42778-72-3

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 卤代醇
• 中文名称: 1,4-环己烷二甲醇单丙烯酸酯
• 英文名称: 2,3,3-triiodoallyl alcohol
• 英文别名: 1,1,2-triiodo-1-propen-3-ol；tri-iodo allyl alcohol；2,3,3-triiodo-prop-2-en-1-ol；2,3,3-triiodo-allyl alcohol；α.α.β-Trijod-γ-oxy-propylen；β.γ.γ-Trijod-allylalkohol；2,3,3-triiodoprop-2-en-1-ol
• CAS: 42778-72-3
• 化学式: C₃H₃I₃O
• 分子量: 435.77
• InChiKey: SQRDRPSVGROPHX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  7
• 可旋转键数：
  1
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

安全信息

• 海关编码：
  2905590090

反应信息

• 作为反应物：
  描述：

  1,4-环己烷二甲醇单丙烯酸酯 在 甲酸 作用下， 以 正己烷 、 乙酸乙酯 为溶剂， 生成 3-Formyloxy-1,1,2-triiodo-1-propene
  参考文献：
  名称：

  Trihaloallyl derivatives having anti-fungal activities

  摘要：

  在3位上具有甲酰氧基、烷酰氧基、烷氧羰基氧基、烷氧羰基烷氧基、苯氧羰基烷氧基或苄氧羰基烷氧基基团的1,1,2-三碘-1-丙烯和1-溴-1,2-二碘-1-丙烯衍生物是有价值的抗真菌和防腐剂，具有良好的热和光稳定性。

  公开号：

  US04487781A1
• 作为产物：
  描述：

  2-丙炔-1-醇 以81%的产率得到1,4-环己烷二甲醇单丙烯酸酯
  参考文献：
  名称：

  X-ray contrast agents

  摘要：

  这项发明描述了一种新型X射线造影剂。已经发现，含有一个或多个C=C双键，并且用电子中性取代基和碘取代的碘代烯烃可以用作X射线造影剂。同时也描述了新的碘代烯烃化合物。

  公开号：

  US06406680B1

文献信息

• Total Syntheses of Carbohydrates. I. Dihydroxyacetone and DL-Erythrulose
  作者：Takashi Ando、Sachiko Shioi、Masazumi Nakagawa

  DOI：10.1246/bcsj.45.2611

  日期：1972.8

  An improved method of preparation of halopropargyl alcohol is described. Hydration of halopropargyl alcohol followed by hydrolysis gave dihydroxyacetone which was identified as its dibenzoate. 2-Butyne-1,4-diol was converted into acetoxymethyl vinyl ketone. 1,4-Diacetoxy-3-bromobutan-2-one obtained by the addition of acetyl hypobromite to the vinyl ketone was treated with silver acetate to yield t

  描述了制备卤代炔丙醇的改进方法。卤代炔丙醇水合后水解得到二羟基丙酮，经鉴定为二苯甲酸酯。2-丁炔-1,4-二醇转化为乙酰氧基甲基乙烯基酮。1,4-Diacetoxy-3-bromobutan-2-one 通过将乙酰次溴酸盐添加到乙烯基酮中而获得，用乙酸银处理以产生三-O-乙酰基-DL-赤藓酮糖。三乙酸酯的水解提供DL-赤藓酮糖，其被鉴定为苯腙。
• Composition for treating swine scour
  申请人：Meiji Seika Kaisha, Ltd.

  公开号：US03932668A1

  公开（公告）日：1976-01-13

  Novel alkyl 2,3,3-triiodoallyl ethers useful as disinfectants are provided by an addition reaction of alkyl-3-iodo-2-propinyl ethers with iodine. The starting alkyl-3-iodo-2-propinyl ethers can be prepared by a new process comprising an alkylation of propargyl alcohol with an alkyl sulfate or alkyl sulfonate in the presence of an alkali, followed by monoiodization of the resulting alkyl-2-propinyl ether. This invention also provides a composition comprising alkyl 2,3,3-triiodoalkyl ethers useful as a poultry feed additive having growth increasing effects and for treating swine scours.

  本发明提供了一种用作消毒剂的新型烷基2,3,3-三碘丙烯醚，其通过将烷基-3-碘-2-丙烯醚与碘进行加成反应得到。起始的烷基-3-碘-2-丙烯醚可以通过一种新的工艺制备，包括在碱的存在下，用烷基硫酸盐或烷基磺酸盐对丙炔醇进行烷基化，然后对所得到的烷基-2-丙烯醚进行单碘化。本发明还提供了一种包含烷基2,3,3-三碘烷基醚的组合物，该组合物可作为禽类饲料添加剂，具有促进生长的效果，并可用于治疗猪痢疾。
• Synthesis and quantitative structure-activity relationship analysis of N-triiodoallyl- and N-iodopropargylazoles. New antifungal agents
  作者：Masao Koyama、Noriko Ohtani、Fumio Kai、Ikuo Moriguchi、Shigeharu Inouye

  DOI：10.1021/jm00386a019

  日期：1987.3

  New series of N-(2,3,3-triiodoallyl) and N-(3-iodopropargyl) azole derivatives (100 compounds) involving pyrrole, pyrazole, imidazole, triazole, and tetrazole nuclei were synthesized successively with the aid of quantitative structure-activity relationship (QSAR) analysis to obtain potent antifungal agents. Starting from the derivatives of nitropyrrole-containing antibiotics, the QSAR analysis of the pyrrole derivatives against Candida albicans and Trichophyton mentagrophytes strains indicated the positive contribution of the nitro group and negative effect of the size of molecule. Further application of the QSAR analysis on the multi-azole derivatives revealed the importance of hydrophobicity and electronegativity as well as steric effect to the activities and led to the synthesis of one of the most potent iodo compounds, 2-(2,3,3-triiodoallyl)tetrazole (67, ME1401).
• Lespieau, Annales de Chimie (Cachan, France), 1897, vol. <7>11, p. 262
  作者：Lespieau

  DOI：——

  日期：——
• Synthesis and antimicrobial activity of 1,1,2-triiodo-1-propen-3-yl benzoates
  作者：A. D. Dzhuraev、A. G. Makhsumov、U. A. Bakhadyrova、Sh. N. Nazarov、N. Amanov、R. A. Akhmedov

  DOI：10.1007/bf00764621

  日期：1989.11