sodium O-benzylxanthogenate | 54769-08-3

• 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: sodium O-benzylxanthogenate
• 英文别名: sodium O-benzylcarbonodithioate；dithiocarbonic acid O-benzyl ester; sodium-salt；Dithiokohlensaeure-O-benzylester; Natrium-Salz；Sodium;phenylmethoxymethanedithioate
• CAS: 54769-08-3
• 化学式: C₈H₇OS₂*Na
• 分子量: 206.265
• InChiKey: LUMJNYOLXGRGEU-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -0.96
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  42.3
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  sodium O-benzylxanthogenate 在 三氯化磷 作用下， 以 甲苯 为溶剂， 反应 9.0h， 以90%的产率得到benzyloxycarbonothioylthiophosphorus(III) dichloride
  参考文献：
  名称：

  磷（III）和（V）的邻甲苯基/苄基二硫代碳酸酯：合成与表征

  摘要：

  摘要合成并表征了O-甲苯基/苄基二硫代碳酸酯ROCS 2 Na（R =  o-，m-或对-CH 3 C 6 H 4 –和–CH 2 C 6 H 5）。这些新的配位体与反应的PCl 3 /的POCl 3中回流甲苯这导致磷（III）和磷（V）的形成甲苯/苄基二硫代碳酸酯对应于[（ROCS 2）ñ的PCl 3- Ñ ]和[（ROCS 2）n POCl 3− n ]（R =  o-，m-或p -CH 3 C 6 H 4-和-CH 2 C 6 H 5；n  = 1、2、3）。这些淡黄色液体化合物的特征在于IR，质谱和NMR（1 H，13 C和31 P）光谱研究，这表明二硫代碳酸酯配体以单齿模式结合，导致这些衍生物中的P–S–C键。 图形概要

  DOI：

  10.1007/s00706-011-0704-2
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 、 alkaline earth salt of/the/ methylsulfuric acid 在 乙醚 作用下， 生成 sodium O-benzylxanthogenate
  参考文献：
  名称：

  Frerichs; Rentschler, Archiv der Pharmazie, 1906, vol. 244, p. 79

  摘要：

  DOI：
• 作为试剂：
  描述：

  2-溴苯乙酮 在 lithium aluminium tetrahydride 、 sodium O-benzylxanthogenate 作用下， 生成 1-巯基-2-苯基-2-羟基乙烷
  参考文献：
  名称：

  Robinson, Philip L.; Kelly, Jeffery W.; Slayton, A. Evans, Phosphorus and Sulfur and the Related Elements, 1987, vol. 31, p. 59 - 70

  摘要：

  DOI：

文献信息

• Substitution reactions of [MBr(π allyl)(CO)2(LL)] complexes (M = Mo, W; L-L = 2,2 -bipyridine 1,2-bis(diphenylphosphine)ethane) with xanthates and dithiocarbamates
  作者：M.F. Perpiñan、A. Santos

  DOI：10.1016/s0022-328x(00)81029-3

  日期：1981.11

  The complexes [MBr(π-allyl)(CO)2(bipy)] (M = Mo, W, bipy = 2,2′-bipyridine) react with alkylxanthates (MIRxant), and N-alkyldithiocarbamates (MIRHdtc) (MI = Na or K), yielding complexes of general formula [M(S,S)- (π-allyl)(CO)2(bipy)] (M = Mo, (S,S) = Rxant (R = Me, Et, t-Bu, Bz), RHdtc (R = Me, Et); M = W, (S,S) = Extant). A monodentate coordentate coordination of the (S,S) ligand was deduced from

  的配合物[MBR（π烯丙基）（CO）2（联吡啶）]（M =钼，钨，联吡啶= 2,2'-联吡啶）与alkylxaNThates（M反应我RXANT），和Ñ -alkyldithiocarbamates（M我RHdtc ）（M I = Na或K），得到通式为[M（S，S）-（π-烯丙基）（CO）2（bipy）]的络合物（M = Mo，（S，S）= RxaNT（R = Me，Et，t-Bu，Bz），RHdtc（R = Me，Et）; M = W，（S，S）= ExtaNT）。从光谱数据推导出（S，S）配体的单齿配位配位。[MoBr（π-烯丙基）（CO）2（bipy）]与MeHdtc和MexaNT的反应给出相同的络合物，无论是否存在吡啶。络合物[Mo（S，S）（π-烯丙基）（CO）2（（Bipy）]（（S，S）= MeHdtc，MexaNT）不与过量的（S，S）配体和吡啶反应。
• Visible-Light-Driven Synthesis of Aryl Xanthates and Aryl Dithiocarbamates via an Electron Donor–Acceptor Complex
  作者：Mingjun Zhang、Beibei Wang、Yunpeng Cao、Yuxiu Liu、Ziwen Wang、Qingmin Wang

  DOI：10.1021/acs.orglett.2c03736

  日期：2022.12.9

  the preparation of aryl xanthates and aryl dithiocarbamates from functionalized dibenzothiophenium salts via a photoactivated electron donor–acceptor complex. This mild, metal-free method is operationally simple and has a broad substrate scope and potential utility for late-stage functionalization of natural products and pharmaceuticals. Finally, this method also has redefined the substrate scope and

  在此，我们报告了一种简便、高效且实用的方案，该方案能够通过光活化电子供体-受体复合物从功能化的二苯并噻吩盐制备芳基黄原酸盐和芳基二硫代氨基甲酸盐。这种温和、无金属的方法操作简单，具有广泛的底物范围和潜在的用途，可用于天然产物和药物的后期功能化。最后，该方法还重新定义了Leuckart苯硫酚反应的底物范围和反应途径。
• Supramolecular self-assembly in the crystal structures of methylmercury xanthates, MeHgS(S)COR, R=Et, iPr and CH2Ph
  作者：José S Casas、Eduardo E Castellano、Javier Ellena、Ionel Haiduc、Agustı́n Sánchez、Radu F Semeniuc、José Sordo

  DOI：10.1016/s0020-1693(01)00820-9

  日期：2002.2

  Methylmercury(II) xanthates, MeHgS(S)COR, with R = Et, Pr-i and CH2Ph, form unidimensional, supramolecular self-assembled, tape-like arrays in the solid state, based upon Hg...S intermolecular secondary interactions. In the compounds with R = Et and Pr-i the individual molecules form double chains (tapes) weakly interacting with neighbouring arrays, while the compound with R = CH2Ph forms dimeric units, which are further associated into infinite tapes, not interacting with each other. Primary Hg-S bonds are in the range 2.378(5)-2.391(3) Angstrom, intramolecular Hg...S secondary bonds leading to chelation are in the range 3.179(5)-3.259(3) Angstrom, whereas intermolecular Hg...S secondary interactions cover a broader range, from 3.403(4) to 4.22(1) Angstrom. (C) 2001 Published by Elsevier Science B.V.
• Dialkyltin(IV)bis(O–tolyl/benzyldithiocarbonate) complexes: Spectroscopic, thermogravemetric, antifungal and crystal analysis of n–Bu2Sn(S2COCH2C6H5)2
  作者：Bhawana Gupta、Deepak Kumar、Nidhi Kalgotra、Savit Andotra、Gurvinder Kour、Vivek Kumar Gupta、Rajni Kant、Sushil Kumar Pandey

  DOI：10.17344/acsi.2014.1027

  日期：2015.3.15

  Novel compounds of dimethyl- and dibutyltin(IV) with O-tolyl/benzyldithiocarbonates were successfully obtained by the reaction of Me(2)SnC(l2) and n-Bu(2)SnCl(2) with sodium salt of O-tolyl/benzyldithiocarbonates, [o-, m- and p-CH(3)C(6)H(4)OCS(2)Na and C(6)H(5)CH(2)OCS(2)Na], in 1:2 molar ratio in dry toluene. The structure of these newly synthesized complexes has been examined by elemental analysis, FT-IR, multinuclear NMR ((1)H, (13)C and (119)Sn) spectroscopy. The thermal behaviour of the complex (8) has been studied by TGA/DTA analysis. The complex (8), n-Bu2Sn(S2COCH2C6H5)2, crystallizes in the monoclinic space group C2/c, in which tin adopts a distorted octahedron or skew trapezoidal bipyramidal geometry accompanied by two n-butyl chains and the two dithiocarbonate ligands coordinated in an anisobidentate fashion. Antifungal activities against fungus Fusarium sp. of these organotin(IV) derivatives exhibited enhanced activity compared to the free ligands.
• Substitution reactions of [MoBr(π-allyl)(CO)2(L)2] complexes (L  acetonitrile, pyridine) with xanthates and dithiocarbamates
  作者：M.F. Perpiñan、A. Santos

  DOI：10.1016/s0022-328x(00)86100-8

  日期：1981.9