2-丁基氨基环戊烯-1-二硫代甲酸 | 34281-27-1

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 2-丁基氨基环戊烯-1-二硫代甲酸
• 英文名称: 2-N-(n-butylamino)cyclopentene-1-dithiocarboxylic acid
• 英文别名: 2-butylamino-1-cyclopentene-1-dithiocarboxylic acid；2-butyl-aminocyclopentene-1-carbodithioic acid；2-butylaminocyclopentene-1-carbodithioic acid；β-Butylamino-cyclopenten-dithiocarbonsaeure；2-(Butylamino)cyclopent-1-ene-1-carbodithioic acid；2-(butylamino)cyclopentene-1-carbodithioic acid
• CAS: 34281-27-1
• 化学式: C₁₀H₁₇NS₂
• 分子量: 215.384
• InChiKey: LYWRKJCTJRPQBW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  13
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  45.1
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-丁基氨基环戊烯-1-二硫代甲酸 在 三氯化砷 作用下， 以 苯 为溶剂， 反应 2.0h， 以92%的产率得到
  参考文献：
  名称：

  Singh, Shailendra K.; Singh, Yash P.; Rai, Audhesh K., Indian Journal of Chemistry, Section A: Inorganic, Physical, Theoretical and Analytical, 1989, vol. 28, # 7, p. 585 - 587

  摘要：

  DOI：
• 作为产物：
  描述：

  二硫化碳 、 1-Butylimino-cyclopentan 以 丙酮 为溶剂， 生成 2-丁基氨基环戊烯-1-二硫代甲酸
  参考文献：
  名称：

  Mayer,R.; Jentzsch,J., Journal fur praktische Chemie (Leipzig 1954), 1964, vol. 23, p. 83 - 88

  摘要：

  DOI：

文献信息

• Chemistry of molybdenum. Part 2. Complexes of molybdenum with 2-aminocyclopent-1-ene-1-carbodithioate. Synthesis, characterisation, and electrochemical studies
  作者：Muktimoy Chaudhury

  DOI：10.1039/dt9840000115

  日期：——

  The chemistry of the bidentate (S,S–) donor ligands 2-aminocyclopent-1-ene-1-carbodithioic acid (HL1) and its N-alkylated derivatives [alkyl = C2H5(HL2), C4H9(HL3), or cyclo-C6H11(HL4)] with molybdenum in oxidation states +6 and +5 is described. The MoVI compounds are all cis-dioxo-species. Reduction of [MoO2(L1)2] with excess HL1 yields [MoO(L1)3], a monomeric MoV compound. The complexes are all intensely

  二齿（S，S –）供体配体2-氨基环戊-1-烯-1-碳二硫代酸（HL 1）及其N-烷基化衍生物的化学组成[烷基= C 2 H 5（HL 2），C 4 H描述了具有在+6和+5氧化态的钼的图9（HL 3）或环-C 6 H 11（HL 4）]。Mo VI化合物都是顺式-二氧杂种。用过量的HL 1还原[MoO 2（L 1）2 ]产生[MoO（L 1）3 ]，单体Mo V化合物。由于配体到金属的电荷转移跃迁，这些复合物都被强烈着色。描述了这些复合物的红外电子，静电，电磁和电化学研究。根据电子结构及其与黄嘌呤氧化酶中Mo中心的关系来讨论结果。
• Chemistry of molybdenum. Part 9. Non-oxomolybdenum(IV) and mononuclear oxomolybdenum(V) complexes with dithioacid ligands
  作者：Subodh Kanti Dutta、Sujit Baran Kumar、Sudeep Bhattacharyya、Muktimoy Chaudhury

  DOI：10.1039/dt9940000097

  日期：——

  syntheses and characterisation of a series of non-oxomolybdenum(IV) and mononuclear oxomolybdenum(V) complexes are described with 2-aminocyclopent-1 -ene-1 -carbodithioate (acda) and its N-alkyl derivatives [aacda; alkyl = ethyl (eacda), propyl (pacda) or butyl (bacda)] as the bidentate (S–S)– donor ligands. The molybdenum(IV) complexes [Mo(ox)(aacda)(acda)](ox = oxalate) are feebly paramagnetic (ca. 0

  的合成和一系列非oxomolybdenum（IV）的表征和单核oxomolybdenum（V）配合物是用2-氨基环戊-1-烯-1- -carbodithioate（ACDA）和它的描述ñ -烷基衍生物〔aacda; 烷基=乙基（e），丙基（pacda）或丁基（bacda）]作为双齿（S–S）–供体配体。钼（IV）络合物[Mo（ox）（aacda）（acda）]（ox =草酸盐）呈弱顺磁性（约0.9 µ B），具有自旋配对的d 2基态。它们显示出由两个可逆的单电子对组成的丰富的电化学：Mo IV –Mo III（E 1/2 ≈–0.45 V）和Mo IV –MoV（Ë ½ 0.54 V），这表明在六协调结构的保护[沫（OX）（aacda）（ACDA）] Ž（Ž= -1，0或1）。钼（V）络合物[MoOCl（L） 2 ]（L = acda2a，eacda2b，pacda2c或bacda2d）是顺磁性的（1
• Monoorganosilicon(IV) Complexes of 2-Aminocyclopentene-1-carbodithioic Acid and its N-/S-Alkyl Derivatives: Synthesis and Characterization
  作者：Rajnish K. Sharma、Malti Sharma、Yashpal Singh

  DOI：10.14233/ajchem.2021.23538

  日期：——

  (ACDA) and its N-/S-alkyl derivatives of methylsilicon(IV) chloride have been synthesized by the reactions of MeSiCl3 with sodium salt of ACDA and its N-/S-alkyl derivatives in 1:1 and 1:2 molar ratios. All these complexes have been characterized by elemental analysis, molecular weight measurements and spectroscopic (IR, 1H and 13C NMR) studies. The central silicon atom is coordinated to two sulphur atoms

  通过MeSiCl3与ACDA及其N-/S-烷基衍生物的钠盐反应合成了2-氨基环戊烯-1-二硫代碳酸(ACDA)及其氯化甲基硅(IV)的N-/S-烷基衍生物1 :1 和 1:2 摩尔比。所有这些配合物均已通过元素分析、分子量测量和光谱（IR、1H 和 13C NMR）研究进行了表征。在所有这些衍生物中，中心硅原子与配体部分的两个硫原子或一个硫原子和一个氮原子配位，产生五配位和六配位。
• Synthesis and Characterization of Organoarsenic(III) Derivatives with 2-Aminocyclopentene 1-Carbodithioc Acid and with Their Nitrogen/Sulfur Alkyl Derivatives
  作者：R. Rathore、N. Harkut、P. N. Nagar

  DOI：10.1080/10426500701521647

  日期：2007.10.18

  Phenylarsenic(III) Dimethoxide reacts with N-/S- alkyl of 2-aminocyclopentene 1 carbodithioic acid and its nitrogen-/sulfur-alkyl derivatives in 1:2 and 1:1 molar ratio yields some new complexes and addition complexes of the type:[GRAPHICS]and[GRAPHICS]where R'= -H,-CH3,-C2H5,-C4H9 and R= -CH3 and CH2N(C2H5). Reactants were mixed in 1:1 and 1:2 molar ratios and the resulting mixture was refluxed for 5 to 6 h to ensure completion of the reaction. Sodium chloride precipitated was filtered off Yellow to dark brown colored solids were isolated; these complexes were found to be soluble in common organic solvents (e.g., CHCl3, etc.) These complexes and additional complexes have been characterized by physicoehemical and spectroscopic studies.
• Synthesis and characterisation of sulfur-rich manganese(III) and vanadium(IV) complexes containing dithioacid ligands
  作者：Sujit Baran Kumar、Muktimoy Chaudhury

  DOI：10.1039/dt9920003439

  日期：——

  The chemistry of the bidentate (S,S')- donor ligand 2-aminocyclopent-1-ene-1-carbodithioic acid (Hacda) and its N-alkylated derivatives [R = Et (Heacda), Pr(n) (Hpacda), or Bu(n) (Hbacda)] with vanadium(IV) and manganese(III) has been studied. The vanadium(IV) complexes [V(aacda)4] 1 a-1d are all eight-co-ordinated non-oxo species containing a VS8 chromophore. Their ESR spectra in frozen solution (140 K) exhibit axial anisotropy with a 16-line V-51 hyperfine pattern. The observed order in spin-Hamiltonian parameters (g(parallel-to) almost-equal-to 1.932, g(perpendicular-to) almost-equal-to 1.985, A(parallel-to) almost-equal-to 175 x 10(-4) cm-1 and A(perpendicular-to) almost-equal-to 74 x 10(-4) cm-1) indicates a d(x2-y2) ground state with a dodecahedral (D2d) structure. Electrochemical studies of 1a-1d show a quasi-reversible one-electron V(IV)-V(III) reduction at almost-equal-to -0.7 V vs. saturated calomel electrode (SCE). The manganese(III) complexes [Mn(aacda)3] 2a-2c are all high-spin species (mu(eff) 5.01-5.10) and exhibit two ligand-to-metal charge-transfer bands at almost-equal-to 610 and 530 nm. Their cyclic voltammograms reveal the presence of two quasi-Nernstian couples: E1/2(ox) = 0.1 V and E1/2(red) = -0.33 V vs. SCE due to Mn(IV)Mn(III) and Mn(III)-Mn(II)l electron transfers respectively.