bissulfoxide | 42089-20-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: bissulfoxide
• 英文别名: bis(o-(bromomethyl)phenyl) sulfoxide；bis(o-bromomethylphenyl) sulfoxide；di(o-bromomethylphenyl)sulfoxide；bis-(2-bromomethyl-phenyl) sulfoxide；Bis(2-Brommethylphenyl)-sulfid-S-monoxid；S-Oxid-bis-(2-brommethylphenyl)-sulfid；1-(Bromomethyl)-2-[2-(bromomethyl)phenyl]sulfinylbenzene
• CAS: 42089-20-3
• 化学式: C₁₄H₁₂Br₂OS
• 分子量: 388.123
• InChiKey: RXCUWQBHFHUJOU-UHFFFAOYSA-N

物化性质

• 沸点：
  504.9±45.0 °C(Predicted)
• 密度：
  1.76±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  36.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  bissulfoxide 在 sodium sulfide 、 三氟乙酸 作用下， 以 甲醇 、 氘代氯仿 为溶剂， 反应 2.0h， 生成 5H,7H-Dibenzo<1,5>dithiocin 6-oxide
  参考文献：
  名称：

  Distinct difference of chemical behaviors between 5H,7H-dibenzo[b,g][1,5]dithiocin 12-oxide and thiazocine S-oxide

  摘要：

  DOI：

  10.1016/s0040-4039(00)88938-8

文献信息

• Debromination of phenacyl and benzylic bromides with tertiary stibine and the mechanistic consideration
  作者：Kin-ya Akiba、Akiyoshi Shimizu、Hideyuki Ohnari、Katsuo Ohkata

  DOI：10.1016/s0040-4039(00)98154-1

  日期：1985.1

  Tributylstibine is an efficient reagent for debromination of phenacyl and arylmethyl bromides. The mechanistic difference between stibine and phosphine is discussed briefly.

  三丁基士比汀是一种用于苯甲酰基和芳基甲基溴脱溴的有效试剂。简要讨论了锑锭和磷化氢之间的机理差异。
• Studies on Diphenyl Ether Derivatives. VIII. NMR Spectra and Conformational Structure of Dibenz[b, g][1, 5]oxazocine and Thiazocine Derivatives and Their Mass Spectra
  作者：SATORU TANAKA、KAZUNORI HASHIMOTO、HIDEAKI WATANABE、KENYA SAKAGUCHI

  DOI：10.1248/cpb.21.1683

  日期：——

  The NMR spectra of 6-substituted 6, 7-dihydro-5H-dibenz[b, g][1, 5]oxazocine and thiazocine derivatives (1) and the sulfoxides or sulfones (6) and the bimolecular sixteen membered ring compounds (2) were reported. The methylene protons at 5 and 7-position of the ring of 6 appeared as a AB system quartet. All ring methylene protons in 2 gave a singlet. The temperature dependent coalescence and splitting of the singals was observed in 1. At low temperature the 5, 7-methylene protons in thr ring of 1 gave a AB quartet and a singlet. From these facts it was suggested that 1 was amixture of the conformational isomer A and B in Fig. 8 and they could not freely rotate each other even at room temperaute. 6 existed only as the structure A. The Mass spectra of them were also reported.

  报告了 6-取代的 6, 7-二氢-5H-二苯并[b, g][1,5]恶唑嗪和噻唑嗪衍生物（1）、硫醚或砜类化合物（6）以及双分子十六分子环化合物（2）的核磁共振谱。6 环上 5 位和 7 位的亚甲基质子以 AB 系统四元组的形式出现。2 中的所有环亚甲基质子都呈现单重子。在低温下，1 环上的 5、7-亚甲基质子产生 AB 四元体和一个单体。从这些事实可以看出，1 是图 8 中构象异构体 A 和 B 的混合物，即使在室温下也不能自由旋转。同时还报告了它们的质谱图。
• Ohkata, Katsuo; Ohnishi, Masako; Yoshinaga, Keiichi, Journal of the American Chemical Society, 1991, vol. 113, # 24, p. 9270 - 9276
  作者：Ohkata, Katsuo、Ohnishi, Masako、Yoshinaga, Keiichi、Akiba, Kin-Ya、Rongione, Joseph C.、Martin

  DOI：——

  日期：——
• Formation and isolation of the dithioether dications of cyclic dithioethers in the reactions of the corresponding S-oxides and S-imine in concentrated sulfuric acid
  作者：Hisashi Fujihara、Akira Kawada、Naomichi Furukawa

  DOI：10.1021/jo00228a018

  日期：1987.9
• AKIBA, KIN-YA;SHIMIZU, AKIYOSHI;OHNARI, HIDEYUKI;OHKATA, KATSUO, TETRAHEDRON LETT., 1985, 26, N 27, 3211-3214
  作者：AKIBA, KIN-YA、SHIMIZU, AKIYOSHI、OHNARI, HIDEYUKI、OHKATA, KATSUO

  DOI：——

  日期：——