Ethyl 2-(2-pyrrolidin-1-ylcyclohex-2-en-1-yl)acetate | 76593-98-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 英文名称: Ethyl 2-(2-pyrrolidin-1-ylcyclohex-2-en-1-yl)acetate
• CAS: 76593-98-1
• 化学式: C₁₄H₂₃NO₂
• 分子量: 237.342
• InChiKey: ZSSASRGUTCRHJL-UHFFFAOYSA-N

物化性质

• 沸点：
  338.0±21.0 °C(Predicted)
• 密度：
  1.053±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  17
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.79
• 拓扑面积：
  29.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  Ethyl 2-(2-pyrrolidin-1-ylcyclohex-2-en-1-yl)acetate 在 盐酸 、 sodium hydroxide 、 lithium aluminium tetrahydride 、 水 作用下， 反应 13.25h， 生成 2-(2-羟乙基)环己酮
  参考文献：
  名称：

  Carlsson, S.; El-Barbary, A. A.; Lawesson, S.-O., Bulletin des Societes Chimiques Belges, 1980, vol. 89, # 8, p. 643 - 650

  摘要：

  DOI：
• 作为产物：
  描述：

  环己酮 、 alkaline earth salt of/the/ methylsulfuric acid 在 三乙胺 作用下， 以 苯 为溶剂， 反应 7.0h， 生成 Ethyl 2-(2-pyrrolidin-1-ylcyclohex-2-en-1-yl)acetate
  参考文献：
  名称：

  Carlsson, S.; El-Barbary, A. A.; Lawesson, S.-O., Bulletin des Societes Chimiques Belges, 1980, vol. 89, # 8, p. 643 - 650

  摘要：

  DOI：

文献信息

• Facile Synthesis of Oxatricyclic Systems with Various Ring Sizes and Substituents
  作者：Sengodagounder Muthusamy、Srinivasarao Arulananda Babu、Chidambaram Gunanathan、Eringathodi Suresh、Parthasarathi Dastidar、Raksh Vir Jasra

  DOI：10.1016/s0040-4020(00)00569-x

  日期：2000.8

  α-diazo carbonyl compounds with rhodium(II) acetate dimer furnish cyclic five- or six-ring carbonyl ylide dipoles, which undergo facile 1,3-dipolar cycloaddition with different dipolarophiles to furnish the substituted and functionalized oxatricyclic systems having various ring sizes. Two X-ray crystallographic analyses of compounds 8b and 15a are reported to firmly establish the stereochemistry of the

  使用重氮甲烷溶液或甲磺酰基叠氮化物已经合成了一系列具有不同束缚长度的具有环戊酮，环己酮和取代的环己酮单元的α-重氮羰基化合物。上述具有乙酸铑（II）二聚体的合成的α-重氮羰基化合物提供了环状的五环或六环羰基内酯偶极子，该环偶合了容易的1，3-偶极环加成而具有不同的偶极亲电子，以提供具有各种环的取代的和官能化的氧三环体系大小。据报道，对化合物8b和15a进行了两次X射线晶体学分析，以牢固地确定环加合物的立体化学。
• [EN] (4, 5, 6, 7-TETRAHYDRO-1-H-INDOL-7-YL) ACETIC ACID DERIVATIVES FOR TREATMENT OF ALZHEIMER'S DISEASE<br/>[FR] DERIVES D'ACIDE (4,5,6,7-TETRAHYDRO-1-H-INDOL-7-YL)-ACETIQUE DESTINES AU TRAITEMENT DE LA MALADIE D'ALZHEIMER
  申请人：MERCK SHARP & DOHME

  公开号：WO2005108362A1

  公开（公告）日：2005-11-17

  Compounds of formula: (I); are disclosed. The compounds are useful in treating or preventing diseases associated with deposition of Aβ in the brain.

  公式为(I)的化合物已被披露。这些化合物在治疗或预防与大脑中Aβ沉积相关的疾病方面具有用处。
• (4, 5, 6, 7-Tetrahydro-1-H-Indol-7-Yl) Acetic Acid Derivatives for Treatment of Alzheimer's Disease
  申请人：Bettati Michela

  公开号：US20070232678A1

  公开（公告）日：2007-10-04

  Compounds of formula I: are disclosed. The compounds are useful in treating or preventing diseases associated with deposition of Aβ in the brain.

  公式I的化合物已被披露。这些化合物可用于治疗或预防与Aβ在大脑中沉积相关的疾病。
• (±)-7-Oxo-1,2,3,4,4a,5,6,7-octahydronaphthalene-1-acetic acid: catemeric hydrogen bonding and diastereomeric disorder in a bicyclic unsaturated ∊-keto acid
  作者：Mark Davison、Hugh W. Thompson、Roger A. Lalancette

  DOI：10.1107/s0108270104003075

  日期：2004.4.15

  The 68.5: 31.5 mixture of diastereoisomers obtained in the synthesis of the title compound, C12H16O3, yielded sharply melting crystals containing the same ratio of epimers, in a disordered crystallographic arrangement. The disorder resides almost entirely in the carboxymethyl side chain, but places the two sets of carboxyl O atoms at nearly identical paired spatial positions. Neither component displays significant carboxyl disorder, and the molecules aggregate as hydrogen-bonded carboxyl-to-ketone catemers [O...O = 2.673 (4) Angstrom and O-H...O = 158 degrees] having glide-related components, with centrosymmetrically related pairs of chains following axes perpendicular to b. Close intermolecular C - H...O contacts exist for both the ketone and the carboxyl group. The energetics of the epimers and of their crystallization mode are discussed.
• (4, 5, 6, 7-TETRAHYDRO-1-H-INDOL-7-YL) ACETIC ACID DERIVATIVES FOR TREATMENT OF ALZHEIMER'S DISEASE
  申请人：MERCK SHARP & DOHME LTD.

  公开号：EP1748982B1

  公开（公告）日：2009-07-29