r-2,cis-6-bis(p-chlorophenyl)-4-thianone | 27798-82-9

• 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: r-2,cis-6-bis(p-chlorophenyl)-4-thianone
• 英文别名: cis-2,6-Di-(p-chlorphenyl)-tetrahydrothiopyran-4-on；(2R,6S)-2,6-bis(4-chlorophenyl)thian-4-one
• CAS: 27798-82-9
• 化学式: C₁₇H₁₄Cl₂OS
• 分子量: 337.27
• InChiKey: UVJXNQLZLRWRDN-CALCHBBNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  42.4
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  r-2,cis-6-bis(p-chlorophenyl)-4-thianone 在 lithium aluminium tetrahydride 、 盐酸羟胺 、 sodium acetate 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 生成 (2R,4S,6S)-2,6-Bis-(4-chloro-phenyl)-tetrahydro-thiopyran-4-ylamine
  参考文献：
  名称：

  Synthesis and conformational analysis of substituted 4-aminothianes

  摘要：

  DOI：

  10.1021/jo00335a011
• 作为产物：
  描述：

  (3E)-4-(4-chlorophenyl)-3-buten-2-one 在 sodium hydroxide 、 硫化氢 、 sodium acetate 作用下， 以 甲醇 、 乙醇 为溶剂， 生成 r-2,cis-6-bis(p-chlorophenyl)-4-thianone
  参考文献：
  名称：

  Bhaskar Reddy; Somasekhar Reddy; Subba Reddy, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1999, vol. 38, # 12, p. 1342 - 1348

  摘要：

  DOI：

文献信息

• Spectral characterization and crystal structure of some 2,6-diarylthian-4-one hydrazone derivatives
  作者：C. Sankar、S. Umamatheswari、K. Pandiarajan

  DOI：10.1016/j.molstruc.2014.07.080

  日期：2014.11

  A series of cis and trans 2,6-diarylthian-4-one hydrazone derivatives (11-16) have been synthesized and characterized by H-1, C-13 and two dimensional NMR spectroscopy. For the 2r,6t-diphenylthian-4-one N-isonicotinoylhydrazone (14) X-ray diffraction have also been recorded. The coupling constants suggested that the cis-hydrazones (11-13), which have the phenyl groups in cis orientation, largely exist in chair conformations with equatorial orientation of the phenyl groups 11C. Analysis of the vicinal coupling constants of trans-hydrazones (14-16) suggests that boat forms 14B must make significant contributions to it and the relative population is 58%. Moreover, in solution chair conformations 14C and 14C', may contribute to 14. The NOESY and X-ray diffraction of 14 gives definite evidence for the contribution of 14C. (C) 2014 Elsevier B.V. All rights reserved.
• Nanjappan, Palaniappan; Ramalingam, Kondareddiar; Ramarajan, Krishnasamy, Phosphorus and Sulfur and the Related Elements, 1983, vol. 17, p. 331 - 342
  作者：Nanjappan, Palaniappan、Ramalingam, Kondareddiar、Ramarajan, Krishnasamy、Berlin, K. Darrell

  DOI：——

  日期：——
• Manimekalai; Anusuya, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2005, vol. 44, # 10, p. 2087 - 2092
  作者：Manimekalai、Anusuya

  DOI：——

  日期：——