benzyl benzoylhydrazinecarbodithioate | 108852-02-4

• 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: benzyl benzoylhydrazinecarbodithioate
• 英文别名: S-benzyl-β-N-(benzoyl)dithiocarbazate；N'-benzoyl hydrazine carbodithioic acid benzyl ester；3-benzoyl-dithiocarbazic acid benzyl ester；H2bstbh；N-Benzoyl-hydrazin-N'-dithiocarbonsaeurebenzylester；3-Benzoyl-dithiocarbazidsaeure-benzylester；Benzoyl-dithiocarbazinsaeurebenzylester；benzyl N-benzamidocarbamodithioate
• CAS: 108852-02-4
• 化学式: C₁₅H₁₄N₂OS₂
• 分子量: 302.421
• InChiKey: JJCCKQUFNZQVNI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  98.5
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  benzyl benzoylhydrazinecarbodithioate 在 potassium permanganate 、 硫酸 、 溶剂黄146 作用下， 生成 phenyl-phenylmethanesulfonyl-[1,3,4]thiadiazole
  参考文献：
  名称：

  Fujii et al., Yakugaku Zasshi/Journal of the Pharmaceutical Society of Japan, 1954, vol. 74, p. 1049

  摘要：

  DOI：
• 作为产物：
  描述：

  S-benzyldithiocarbazate 、 苯甲酰氯 生成 benzyl benzoylhydrazinecarbodithioate
  参考文献：
  名称：

  The Cyclization of 3-Acyldithiocarbazate Esters¹

  摘要：

  DOI：

  10.1021/ja01607a051

文献信息

• 1,3,4-Thia- and -selenadiazole and 1,2,4-triazolo[4,3-a]pyrimidine derivatives from hydrazonoyl halides
  作者：Nadia A. Abdel-Riheem、Nora M. Rateb、Ali A. Al-Atoom、Abdou O. Abdelhamid

  DOI：10.1002/hc.10156

  日期：——

  1,2,4-Triazolo[4,3-a]pyrimidines, thiadiazolines, selenadiazolines, and unsymmetrical azines were synthesized via reactions of a 4-isopropylbenzoyl bromide 4-nitrophenylhydrazone with each of potassium thiocyanate, potassium selenocyanate, ethyl 6-methyl-4-[4-(methylethyl)phenyl]-2-methylthio-3,4-dihydropyrimidine-5-carboxylate, and alkyl carbodithioate. © 2003 Wiley Periodicals, Inc. Heteroatom Chem

  1,2,4-三唑并[4,3-a]嘧啶、噻二唑啉、硒二唑啉和不对称吖嗪通过 4-异丙基苯甲酰溴 4-硝基苯腙与硫氰酸钾、硒氰酸钾、6-甲基乙基4-[4-(甲基乙基)苯基]-2-甲硫基-3,4-二氢嘧啶-5-羧酸酯和碳二硫代烷基酯。© 2003 Wiley Periodicals, Inc. 杂原子化学 14:421–426, 2003; 在线发表于 Wiley InterScience (www.interscience.wiley.com)。DOI 10.1002/hc.10156
• Synthesis, spectral and X-ray structural studies of Ni(II) complexes of N′-acylhydrazine carbodithioic acid esters containing ethylenediamine or o-phenanthroline as coligands
  作者：M.K. Bharty、A.K. Srivastava、Ram Dulare、R.J. Butcher、N.K. Singh

  DOI：10.1016/j.poly.2010.12.043

  日期：2011.4

  The new complexes [Ni(Hbstbh)(2)(en)] (1) and [Ni(Hpchce)(o-phen)(2)]Cl center dot CH3OH center dot H2O (2) with N'-benzoyl hydrazine carbodithioic acid benzyl ester (H(2)bstbh) and [N'-(pyridine-4-carbonyl)-hydrazine]-carbodithioic acid ethyl ester (H(2)pchce) have been synthesized, containing ethylenediamine (en) or o-phenanthroline (o-phen) as coligands. The ligands and their complexes have been characterized by elemental analyses, IR, magnetic susceptibility and single crystal X-ray data. [Ni(Hbstbh)(2)(en)] (1) and [Ni(Hpchce)(o-phen)(2)]Cl center dot CH3OH center dot H2O (2) crystallized in the monoclinic and triclinic systems, space group C2/c and P - 1, respectively. The (N, O) donor sites of the bidentate ligands chelate the Ni(II) center and form a five-membered CN2ONi ring. The resulting complexes are paramagnetic and have a distorted octahedral geometry. (C) 2011 Elsevier Ltd. All rights reserved.
• Busch, Journal fur praktische Chemie (Leipzig 1954), 1916, vol. <2>93, p. 59
  作者：Busch

  DOI：——

  日期：——
• Abdelhamid, Abdou O.; Abdel-Riheem, Nadia A.; Emam, Hussein A., Journal of Chemical Research, Miniprint, 1999, # 9, p. 2323 - 2335
  作者：Abdelhamid, Abdou O.、Abdel-Riheem, Nadia A.、Emam, Hussein A.

  DOI：——

  日期：——
• Synthesis, characterization and biological studies of S-benzyl-β-N-(benzoyl) dithiocarbazate and its metal complexes
  作者：Fiona N.-F. How、Karen A. Crouse、M. Ibrahim M. Tahir、M.T.H. Tarafder、Andrew R. Cowley

  DOI：10.1016/j.poly.2008.07.022

  日期：2008.10

  S-Benzyl-beta-N-(benzoyl) dithiocarbazate (SBNBODTC) a new disubstituted dithio-carbazate oxygen-sulfur (CS) donor ligand derived from reaction of S-benzyl dithiocarbazate with benzoyl chloride, formed bis-chelated complexes of general formula [M(OS)(2)] where M is Cu2+, Ni2+, Cd2+, Co2+ or Pb2+ and OS is a uni-negative bidentate ligand. The ligand and its metal complexes have been characterized by a variety of physico-chemical techniques. S-benzyl-beta-N-(benzoyl) dithiocarbazate crystallized with Z ' = 2 in its thione form in cis-cis conformation, with the N-N bond adopting a cis geometry with respect to C=S while the, S-benzyl group adopts a cis geometry with respect to the thione sulfur atom across the C-S bond. SBNBODTC, Cu(OS)(2), Ni(OS)(2) and Pb(OS)(2) display marked cytotoxicity against HL-60 (human myeloid leukemia) while Cd(OS)(2) and CO(OS)(2) are moderately cytotoxic. The compounds showed moderate but selective activity towards targeted pathogens. (C) 2008 Elsevier Ltd. All rights reserved.