二溴乙酸钠 | 1068-60-6

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 中文名称: 二溴乙酸钠
• 英文名称: sodium dibromoacetate
• 英文别名: dibromessigsaures Natrium；sodium;2,2-dibromoacetate
• CAS: 1068-60-6
• 化学式: C₂HBr₂O₂*Na
• 分子量: 239.827
• InChiKey: QIDXIFUFBHTWTQ-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -3.14
• 重原子数：
  7
• 可旋转键数：
  1
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  40.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  {CpMo(μ-S)(μ-SH)}2 、 二溴乙酸钠 在 NaOEt 作用下， 以 四氢呋喃 为溶剂， 以4.2%的产率得到{(CpMo(μ-S))2S2CHCO2Na}
  参考文献：
  名称：

  Reactivity studies of sulfur-bridged molybdenum dimers containing electron-withdrawing dithiolate substituents

  摘要：

  New complexes of the formula (Cp'Mo(mu-S))2S2CHR, where R = CO2Me (3) and CO2Na (4) (Cp' = C5H5, CH3C5H4), have been synthesized and characterized spectroscopically. Their reactions have been compared to those of the parent compound, where R = H (1). The synthesis of 3 involved the alkylation of (MeCpMo)2(mu-S2) (mu-S)2 with BrCH2CO2Me to form [(MeCPMO)2-(mu-S2)(mu-S)(mu-SCH2CO2Me)]Br (2(Br)). Complex 2 crystallized in space group P2(1)/c with a = 10.379(2) angstrom, b = 20.820(6) angstrom, c = 9.597(2) angstrom, beta = 102.56-degrees, V = 2024.3(8) angstrom3, and Z = 4. An X-ray diffraction study of 2 confirmed that a mu-sulfido ligand was the site of alkylation and the mu-S2 ligand remained intact. Complex 2 was deprotonated on an alumina column to form 3. The water-soluble complex 4 was synthesized by the reaction of [Cp'Mo(mu-S)(mu-SH)]2 With Br2-CHCO2Na in the presence of base. The reactivities of 3 and 4 are similar to that of 1 in most cases. Unlike 1, complex 3 reacts with triflic acid to cleave a C-S bond of the dithiolate ligand and form the triflate salt of 2. Complex 4 differs from 1 in that it undergoes an observable reaction with hydrogen in neutral or basic aqueous solution. Spectroscopic data for the hydrogen addition product are consistent with the formulation (CpMo)2(mu-S)2(mu-SH)(mu-SCH2CO2Na) (7). The catalytic activity of 4 and 7 for D2-H2O exchange and for the hydrogenation of C = N and N = N bonds in two-phase aqueous/organic solvent systems has been studied.

  DOI：

  10.1021/om00036a016

文献信息

• Synthesis of new cephamycin derivatives and a novel rearrangement between isothiazolethioacetamides and 1,3-dithietanecarboxamides.
  作者：MASARU IWANAMI、TETSUYA MAEDA、MASAHARU FUJIMOTO、YOSHINOBU NAGANO、NORIAKI NAGANO、ATSUKI YAMAZAKI、TADAO SHIBANUMA、KAZUHARU TAMAZAWA、KUNIICHIRO YANO

  DOI：10.1248/cpb.28.2629

  日期：——

  A novel intramolecular rearrangement of isothiazolethioacetamides into 1, 3-dithietanecarboxamides is described, together with the synthesis of a new cephamycin derivative (YM-09330) having a 1, 3-dithietane structure at the 7β-position. This compound showed strong antibacterial activity, especially against gram-negative organisms.

  报道了一种新型异噻唑硫乙酰胺分子内的重排反应，生成1,3-二硫杂环戊烷羧酰胺，并合成了一个新的头孢菌素衍生物（YM-09330），该衍生物在7β-位具有1,3-二硫杂环戊烷结构。该化合物显示出强大的抗菌活性，特别是针对革兰氏阴性菌。
• 7.alpha.-Methoxy-7.beta.-(1,3-dithietane-2-carboxamido)cephalosporanic
  申请人：Yamanouchi Pharmaceutical Co., Ltd.

  公开号：US04263432A1

  公开（公告）日：1981-04-21

  The invention relates to novel 7.alpha.-methoxycephalosporin derivatives having at the 7.beta.-position an amido group acylated by a 1,3-dithietane carboxylic acid residue and to 7.beta.-isothiazolylthioacetamido-7.alpha.-methoxycephalosporins having antibacterial activity by themselves and, as the case may be, capable of being converted into the aforesaid 7.alpha.-methoxycaphalosporin derivatives. The compounds of this invention exhibit excellent antibacterial activity and are particularly effective against gram negative bacteria.

  本发明涉及一种新型7α-甲氧基头孢菌素衍生物，其在7β-位置具有一个被1,3-二硫杂环戊烷羧酸残基酰化的酰胺基，以及具有抗菌活性的7β-异噻唑硫乙酰胺基-7α-甲氧基头孢菌素，如有必要，可转化为上述7α-甲氧基头孢菌素衍生物。本发明的化合物表现出优异的抗菌活性，特别是对革兰氏阴性菌非常有效。
• 1,3-Dithietane-2-carboxylic acids and the preparation thereof
  申请人：Yamanouchi Pharmaceutical Co., Ltd.

  公开号：US04198339A1

  公开（公告）日：1980-04-15

  Substituted 1,3-dithietane-2-carboxylic acid derivatives useful as intermediates for the preparation of highly effective penicillin and cephalosporin derivatives and the preparation thereof.

  1,3-二噻吩-2-羧酸衍生物可用作高效青霉素和头孢菌素衍生物的中间体，并可用于其制备。