2-chloro-benzo[1,3,2]dioxaphosphole-2-sulfide | 4712-53-2

• 分子结构分类: 有机化合物 - 苯类化合物
• 英文名称: 2-chloro-benzo[1,3,2]dioxaphosphole-2-sulfide
• 英文别名: 2-Chlor-benzo[1,3,2]dioxaphosphol-2-sulfid；Thiophosphorsaeure-o-phenylenester-chlorid；Brenzcatechyl-phosphorthiochlorid；2-Chloro-2-sulfanylidene-1,3,2lambda5-benzodioxaphosphole；2-chloro-2-sulfanylidene-1,3,2λ5-benzodioxaphosphole
• CAS: 4712-53-2
• 化学式: C₆H₄ClO₂PS
• 分子量: 206.589
• InChiKey: BSZMSWUTPNEAND-UHFFFAOYSA-N

物化性质

• 熔点：
  49-50 °C(Solv: benzene (71-43-2))
• 沸点：
  108-110 °C(Press: 10 Torr)
• 密度：
  1.59±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  50.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-chloro-benzo[1,3,2]dioxaphosphole-2-sulfide 在 氨 作用下， 以 苯 为溶剂， 反应 2.0h， 以68%的产率得到2-Sulfanylidene-1,3,2lambda5-benzodioxaphosphol-2-amine
  参考文献：
  名称：

  Some O,O′,O″,O‴-di/tetra aryldithioimidophonate transition metal complexes derived from catechol and bisphenol-A as antibacterial and antifungal agents

  摘要：

  Two new substituted-thioimidophonate derivatives H1L1 (O,O',O '',O '''-diaryldithioimidophonates) and H1L2 (O,O',O '',O '''-tetra aryldithioimidophonates) were synthesized. These thioimidophonates are potential ligands towards transition metal ions. The reaction of M(H) acetates (M(II) = Mn(II), Co(II), Ni(II), Cu(II), and Zn(II)) with H1L1 and H1L2 resulted in the formation of solid complexes with the composition (L-1/L-2)(2)M(II). These compounds were characterized through elemental analysis, electrical conductance, infrared, electronic spectra, nmr, magnetic susceptibilities etc. Vibrational mode assignments of nu(PN), nu(PS), nu(MS), phenyl and methyl group bands are made. Structural and bonding changes are correlated with these vibrational frequencies. All the compounds were screened for their antibacterial and antifungal properties and have exhibited potential activities with MIC (0.09-1.50 mu g/ml). (c) 2008 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2008.04.008
• 作为产物：
  描述：

  2,2'-(o-phenyldioxy)-4,5-benzo-1,3,2-dioxaphospholane-4',5'-benzo-1',3',2'-dioxaphospholane 在 sulfur 、 三氯化磷 作用下， 生成 2-chloro-benzo[1,3,2]dioxaphosphole-2-sulfide
  参考文献：
  名称：

  Anschuetz; Broeker, Chemische Berichte, 1928, vol. 61, p. 1265

  摘要：

  DOI：

文献信息

• Synthesis, Spectroscopic, and Antimicrobial Activity Studies of Novel 10-Substituted Camptothecin Phosphorothioate Analogs
  作者：Abdel-Nasser M. A. Alaghaz、Badr A. El-Sayad、Salwa A. H. Albohy

  DOI：10.1080/10426507.2011.631643

  日期：2012.7

  hydroxide powder and acetonitrile system. The structures of title compounds 2 and 3 were confirmed by elemental analysis, IR, 1H NMR, 13C NMR, 31P[1H] NMR,and mass spectral data. These symmetric [(O,O′-monoaryl)-thiophosphoryl)]-(20S)-camptothecin (2a–f) and asymmetric [(O-ethyl-O′-aryl)-thiophosphoryl)]-(20S)-camptothecin (3a–f) compounds were also tested for their in vitro antimicrobial activities against

  摘要 通过 10-羟基喜树碱与各种对称 (O,O'-单芳基)-硫代磷酰氯和不对称 (O-乙基-O'-芳基)-硫代磷酰氯在钠溶液中的缩合反应，高效合成了一系列标题化合物 2 和 3。氢氧化物粉末和乙腈系统。标题化合物2和3的结构经元素分析、IR、1H NMR、13C NMR、31P[1H]NMR和质谱数据确证。这些对称 [(O,O'-单芳基)-硫代磷酰基)]-(20S)-喜树碱 (2a-f) 和不对称 [(O-乙基-O'-芳基)-硫代磷酰基)]-(20S)-喜树碱 ( 3a-f) 还测试了化合物对一些细菌菌株的体外抗菌活性，即金黄色葡萄球菌、B. Simplex、E. acetylicum、E. coli、P. aeruginosa、S. flexenari、S. aureus、S . 伤寒和一些真菌菌株黑曲霉，Aspergillus flavus（霉菌）、S. cerevisiae、C. albicans、T
• [EN] ANTIBACTERIAL COMPOUNDS, THEIR PRODUCTION AND USE
  申请人：TAKEDA CHEMICAL INDUSTRIES, LTD.

  公开号：WO1986005183A1

  公开（公告）日：1986-09-12

  (EN) A compound of formula (I), wherein R1 is an amino group which may be protected R3 is a hydrogen atom or an optionally substituted hydrocarbon residue; Z is S, S$(1,3)$O, O or CH2, R4 is a hydrogen atom, methoxy group or formamido group, R13 is a hydrogen atom, methyl group, hydroxyl group or halogen atom and A + is an optionally substituted imidazolium-l-yl group forming a condensed ring at the 2,3- or 3,4-position or a pharmaceutically acceptable salt or ester thereof is novel and has excellent antibacterial activity.(FR) Un composé de formule (I) où R1 est un groupe aminé qui peut être protégé, R3 est un atome d'hydrogène ou un résidu d'hydrocarbure éventuellement substitué; Z est S, S$(1,3)$O, O ou CH2, R4 est un atome d'hydrogène, groupe méthoxy ou groupe formamido, R13 est un atome d'hydrogène, groupe méthyle, groupe hydroxyle ou atome halogéné et A + est un groupe imidazolium-1-yl formant noyau condensé en position 2,3- ou 3,4-. Ce composé ainsi que son sel ou son ester pharmaceutiquement acceptables sont nouveaux et possèdent une excellente activité antibactérienne.

  化合物式(I)中，R1为氨基，可以被保护；R3为氢原子或可选取代的碳氢残基；Z为S、S$(1,3)$O、O或CH2；R4为氢原子、甲氧基或甲酰胺基；R13为氢原子、甲基、羟基或卤素原子；A+为可选取代的咪唑-1-基团，在2,3-或3,4-位置形成紧缩环，或其药学上可接受的盐或酯。该化合物具有出色的抗菌活性。
• Method for production of cephalosporin compounds
  申请人：Takeda Chemical Industries, Ltd.

  公开号：EP0074611A2

  公开（公告）日：1983-03-23

  A novel method of producing a cephalosporin compound of the formula wherein R' is a hydrogen atom or an acyl group; R is a hydrogen atom or an ester residue; the dotted line means a double bond in 2- or 3-position of the cephem ring; and R4 is a nucleophilic compound residue, or a salt thereof, directly in one step from a compound of the formula wherein R', R and the dotted line have the meanings defined above, or a salt thereof, by reacting in the presence of an organic solvent the compound [II] or a salt thereof, a nucleophilic compound or a salt thereof, and (1) a trivalent or pentavalent cyclic phosphorus compound having a partial structure of the formula wherein W is an oxygen atom, a sulfur atom or NR2; W1 is an oxygen atom, a sulfur atom or NR3; and R and R3 may be the same or different and each means a hydrogen atom or a hydrocarbon group, or a salt thereof, or (2) a reaction product of a compound having a partial structure of the formula wherein W and W' have the same meanings as defined above, or a salt thereof, with a phosphorus oxyhalide, trihalide or pentahalide.

  一种生产式如下的头孢菌素化合物的新方法 其中 R'是氢原子或酰基；R 是氢原子或酯残基；虚线表示头孢环 2 位或 3 位的双键；R4 是亲核化合物残基或其盐。 其中 R'、R 和虚线具有上文定义的含义，或其盐，通过在有机溶剂存在下，使化合物 [II] 或其盐、亲核化合物或其盐和 (1) 部分结构如式的三价或五价环状磷化合物反应而成 其中 W 是氧原子、硫原子或 NR2；W1 是氧原子、硫原子或 NR3；R 和 R3 可以相同或不同，且各指一个氢原子或一个烃基，或其盐，或 (2) 部分结构如式的化合物的反应产物 其中 W 和 W' 的含义与上述定义相同，或其盐与氧卤化磷、三卤化磷或五卤化磷的反应产物。
• Antibacterial compounds
  申请人：Takeda Chemical Industries, Ltd.

  公开号：EP0216385A2

  公开（公告）日：1987-04-01

  A compound having the general formula wherein, R° is a hydrogen atom, a nitrogen-containing heterocyclic group, an acyl group or an amino-protective group; Z is S, S→0,0 or CH2; R4 is a hydrogen atom, a methoxy group, or a formamide group; R" is a hydrogen atom, a methyl group, a hydroxyl group, or a halogen atom; A is a condensed triazolio group which may be substituted, or a pharmaceutically acceptable salt or ester thereof is novel and has an excellent antibacterial activity.

  通式如下的化合物 其中，R° 是氢原子、含氮杂环基团、酰基或氨基保护基团；Z 是 S、S→0,0 或 CH2；R4 是氢原子、甲氧基或甲酰胺基团；R "是氢原子、甲基、羟基或卤素原子；A 是可被取代的缩合三唑基团，或其药学上可接受的盐或酯。
• Cephalosporins, process for their preparation and pharmaceutical compositions containing them
  申请人：Takeda Chemical Industries, Ltd.

  公开号：EP0229369A2

  公开（公告）日：1987-07-22

  A compound of the general formula: wherein R° is hydrogen, a nitrogen-containing heterocyclic group, an acyl group or an amino-protective group; Z is S, S→O,O or CH2; R4 is hydrogen, a methoxy or formamido; R" is hydrogen, methyl, hydroxyl or halogen; and A is an optionally substituted condensed cyclic cationic group consisting of the same or different two 5- or 6-membered nitrogen-containing heterocyclic rings sharing a C-N bond with each other, , or a salt or ester thereof. , and a process for preparing the same and a pharmaceutical composition thereof are disclosed.

  本发明公开了一种通式如下的化合物：其中 R°是氢、含氮杂环基团、酰基或氨基保护基团；Z 是 S、S→O、O 或 CH2；R4 是氢、甲氧基或甲酰胺基；R "是氢、甲基、羟基或卤素；A 是由相同或不同的两个 5 元或 6 元含氮杂环彼此共用一个 C-N 键组成的任选取代的缩合环阳离子基团、Ⅳ或其盐或酯、Ⅳ及其制备方法和药物组合物。