cholest-4-en-3α-ol acetate | 63730-40-5

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
• 英文名称: cholest-4-en-3α-ol acetate
• 英文别名: 3α-acetoxycholest-4-ene；cholesten-(4)-yl-(3α)-acetate；(10R)-3t-Acetoxy-10r.13c-dimethyl-17c-((R)-1.5-dimethyl-hexyl)-(8cH.9tH.14tH)-Δ⁴-tetradecahydro-1H-cyclopenta[a]phenanthren；Essigsaeure-(cholesten-(4)-yl-(3α)-ester)；Cholesten-(4)-yl-(3α)-acetat；3α-Acetoxy-cholesten-(4)；[(3R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
• CAS: 63730-40-5
• 化学式: C₂₉H₄₈O₂
• 分子量: 428.699
• InChiKey: NHRJQCJMNNAOOV-GPJXBBLFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.2
• 重原子数：
  31
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  cholest-4-en-3α-ol acetate 在 硫酸 作用下， 以 丙酮 为溶剂， 生成 胆甾-3,5-二烯
  参考文献：
  名称：

  Glotter, Erwin; Krinsky-Feibush, Pnina; Rabinsohn, Yechiel, Journal of the Chemical Society. Perkin transactions I, 1980, p. 1769 - 1772

  摘要：

  DOI：
• 作为产物：
  描述：

  cholest-4-en-3α-ol 生成 cholest-4-en-3α-ol acetate
  参考文献：
  名称：

  Elliptic Curves and Class Fields of Real Quadratic Fields: Algorithms and Evidence

  摘要：

  The article [Darmon 02] proposes a conjectural p-adic analytic construction of points on (modular) elliptic curves, points which are defined over ring class fields of real quadratic fields. These points are related to classical Heegner points in the same way as Stark units to circular or elliptic units.' For this reason they are called "Stark-Heegner points," following a terminology introduced in [Darmon 98].If K is a real quadratic field, the Stark-Heegner points attached to K are conjectured to satisfy an analogue of the Shimura reciprocity law, so that they can in principle be used to find explicit generators for the ring class fields of K. It is also expected that their heights can be expressed in terms of derivatives of the Rankin L-series attached to E and K, in analogy with the Gross-Zagier formula.The main goal of this paper is to describe algorithms for calculating Stark-Heegner points and supply numerical evidence for the Shimura reciprocity and Gross-Zagier conjectures, focussing primarily on elliptic curves of prime conductor.

  DOI：

  10.1080/10586458.2002.10504467

文献信息

• Molybdenum(II)- and Tungsten(II)-Catalyzed Allylic Substitution
  作者：Andrei V. Malkov、Ian R. Baxendale、Dalimil Dvořák、Darren J. Mansfield、Pavel Kočovský

  DOI：10.1021/jo9821776

  日期：1999.4.1

  The molybdenum(II) complexes Mo(CO)(5)(OTf)(2) (7a), [Mo(CO)(4)Br(2)](2) (8a), their tungsten(II) congeners 7b and 8b, and bimetallic complex Mo(CO)(3)(MeCN)(2)(SnCl(3))Cl (9a) have been found to catalyze the C-C bond-forming allylic substitution with silyl enol ethers derived from beta-dicarbonyls (e.g., 16 + 30 --> 46) or from simple ketones (e.g., 16 + 32 --> 50), aldehydes, and esters as nucleophiles

  钼（II）络合物Mo（CO）（5）（OTf）（2）（7a），[Mo（CO）（4）Br（2）]（2）（8a），它们的钨（II）同系物7b和8b，发现双金属配合物Mo（CO）（3）（MeCN）（2）（SnCl（3））Cl（9a）可以催化衍生自β-二羰基的甲硅烷基烯醇醚形成CC键的烯丙基取代（例如16 + 30-> 46）或简单的酮（例如16 + 32-> 50），醛和酯在温和的条件下（室温，1-2小时）作为亲核试剂。甲醇作为原型氧亲核试剂，以相似的方式反应（例如16 + MeOH-> 43）。机械和立体化学实验表明路易斯酸催化而不是金属模板控制的过程。
• Stereochemistry of the palladium-catalyzed allylic substitution: the syn-anti dichotomy in the formation of (π-allyl)palladium complexes and their equilibration
  作者：Ivo Starý、Jaroslav Zajíček、Pavel Kočovský

  DOI：10.1016/s0040-4020(01)88263-6

  日期：1992.1

  The mechanism of palladium(0)-catalyzed allylic substitution has been investigated with the aim of finding whether or not the intermediate (π-allyl)palladium complexes can arise in a syn fashion as an alternative to the well known anti-mechanism. Using (diphenylphosphino)acetate as a leaving group and stereochemically biased substrates 30b and 35b evidence for the syn stereochemistry has been acquired

  已经研究了钯（0）催化的烯丙基取代的机理，目的是发现中间（π-烯丙基）钯配合物是否可以以合成方式替代众所周知的抗机理而出现。使用（二苯基膦基）乙酸酯作为离去基团和立体化学偏向的底物30b和35b，已经获得了用于顺式立体化学的证据（30b → 31和35b → 36）。起始烯丙基酯中的严重空间拥塞促进了立体化学的这种逆转（这损害了普通的抗-机制），并通过Pd（0）试剂与离去基团的预配位得到增强。后者的作用显然降低了活化熵。与环己烯衍生物10b的，18B，和19B和无环衬底25b中，其中的空间位阻不操作，该抗-mechanism产生η 3 -complexes占优势甚至对于（二苯基膦基）乙酸盐。在升高的温度下，η快速平衡3 -complexes（13 ⇄ 14和20 ⇄ 21在与亲核试剂反应之前已观察到）。该作用归因于作为钯的配体的（二苯基膦基）乙酸根离子的存在。
• Shoppee et al., Journal of the Chemical Society, 1957, p. 3107,3108, 3110
  作者：Shoppee et al.

  DOI：——

  日期：——
• DE717483
  申请人：——

  公开号：——

  公开（公告）日：——