1,5-Dithiacyclooctan-3-one | 39958-62-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1,5-Dithiacyclooctan-3-one
• 英文别名: 1,5-Dithiocan-3-on；[1,5]dithiocan-3-one；1,5-Dithia-cyclooctanon-(3)；1,5-Dithiocan-3-one
• CAS: 39958-62-8
• 化学式: C₆H₁₀OS₂
• 分子量: 162.277
• InChiKey: WQIVIHBPSVUIDX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  9
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  67.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1,5-Dithiacyclooctan-3-one 在 sodium hydride 作用下， 生成 7-(3-Dimethylamino-1-propyl)-4H,6H-2,3-dihydro<1,5>dithiocino<3,2-b>indol
  参考文献：
  名称：

  Arya,V.P., Indian Journal of Chemistry, 1972, vol. 10, p. 812 - 814

  摘要：

  DOI：
• 作为产物：
  描述：

  1,5-二硫杂环辛烷-3-醇 在 氯磺酰异氰酸酯 、 二甲基亚砜 作用下， 以 二氯甲烷 为溶剂， 反应 3.0h， 以37%的产率得到1,5-Dithiacyclooctan-3-one
  参考文献：
  名称：

  Meier, Herbert; Dai, Yujia; Schuhmacher, Hans, Chemische Berichte, 1994, vol. 127, # 10, p. 2035 - 2042

  摘要：

  DOI：

文献信息

• Cesium dithiolate based syntheses of keto-functionalized thio-crown ethers employing the novel building block 1,3-dimercaptoacetone. Molecular structures of 2,5,9,12-tetrathia-7-oxo-(13)-m-benzenophane and 1,4,7,10,13-pentathiacyclohexadecan-15-one
  作者：Jilles J. H. Edema、Jan Buter、Franck S. Schoonbeek、Auke Meetsma、Fre van Bolhuis、Richard M. Kellogg

  DOI：10.1021/jo00073a019

  日期：1993.10

  Cyclization of the bis cesium thiolate (generated in situ) of 1,3-dimercaptoacetone (1) with alpha,omega-dihalides in DMF affords the corresponding cyclic thioethers in good yields, providing an efficient alternative route to keto-functionalized thio-crown ethers. A previously suggested dimeric structure for 1 is supported by NMR spectra, which also allow distinction between cis and trans isomers of 1. Equilibration between the isomers can also be followed by NMR. The molecular structures of two specific thio-crown ethers have been determined by X-ray crystallography. Crystal data for 2,5,9,12-tetrathia-7-oxo-(13)-m-benzenophane (8) at 130 K: triclinic, space group P-1; a = 7.230(1) angstrom, b = 8.690(1) angstrom, c = 13.253(1) angstrom, alpha = 83.153(7)-degrees, beta = 84.257(6)-degrees, gamma = 85.575(6)-gamma, Z = 2, mu(Mo Kalpha) = 5.5 cm-1, R = 0.029 (R(w) = 0.041) for 3082 reflections (I greater-than-or-equal-to 2.5sigma(I)). Crystal data for 1,4,7,10,13-pentathiacyclohexadecan-15-one (9) at 140 K: monoclinic, space group P2(1)/a; a = 16.558(1) angstrom, b = 5.399(1) angstrom, c = 16.734(1) angstrom, beta = 90.28(5)-degrees, Z = 4, mu(Mo Kalpha) = 7.3 cm-1, R = 0.048 (R(w) = 0.66) for 3021 reflections (I greater-than-or-equal-to 3sigma(I)).
• NOUVEAUX MONOMERES (THIO)(METH)ACRYLATES, COMPOSES INTERMEDIAIRES POUR LA SYNTHESE DE CES MONOMERES, COMPOSITIONS POLYMERISABLES ET POLYMERES OBTENUS ET LEURS APPLICATIONS OPTIQUES ET OPHTALMIQUES
  申请人：ESSILOR INTERNATIONAL (COMPAGNIE GENERALE D'OPTIQUE)

  公开号：EP0901486A1

  公开（公告）日：1999-03-17
• US6307062B1
  申请人：——

  公开号：US6307062B1

  公开（公告）日：2001-10-23
• [EN] NOVEL (THIO)(METH)ACRYLATE MONOMERS, INTERMEDIATE COMPOUNDS FOR THE SYNTHESIS OF THESE MONOMERS, POLYMERISABLE COMPOSITIONS AND RESULTING POLYMERS AND OPTICAL AND OPHTHALMOLOGIC APPLICATIONS THEREOF<br/>[FR] NOUVEAUX MONOMERES (THIO)(METH)ACRYLATES, COMPOSES INTERMEDIAIRES POUR LA SYNTHESE DE CES MONOMERES, COMPOSITIONS POLYMERISABLES ET POLYMERES OBTENUS ET LEURS APPLICATIONS OPTIQUES ET OPHTALMIQUES
  申请人：ESSILOR INTERNATIONAL - COMPAGNIE GENERALE D'OPTIQUE

  公开号：WO1998035955A1

  公开（公告）日：1998-08-20

  (EN) The invention concerns novel monomers of formula A: (A) in which: Z represents H or CH3 and X represents O or S, and Y is a heterocyclic compound consisting of hydrogen, carbon and sulphur atoms, having 5 to 8 chains and at least two intracyclic sulphur atoms. The invention is useful for making waveguides, optical fibres and spectacle lenses.(FR) Les nouveaux monomères répondent à la formule (A) dans laquelle Z représente H ou CH3 et X représente O ou S, et Y est un hétérocycle constitué d'atomes d'hydrogène, carbone et soufre, ayant 5 à 8 chaînons et au moins deux atomes de soufre intracycliques. Application: à la fabrication de guides d'ondes, fibres optiques, verres de lunettes.
• Meier, Herbert; Dai, Yujia; Schuhmacher, Hans, Chemische Berichte, 1994, vol. 127, # 10, p. 2035 - 2042
  作者：Meier, Herbert、Dai, Yujia、Schuhmacher, Hans、Kolshorn, Heinz

  DOI：——

  日期：——