2-[(3S)-3-propan-2-ylpyrrolidin-1-yl]ethanol | 831197-14-9

• 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: 2-[(3S)-3-propan-2-ylpyrrolidin-1-yl]ethanol
• CAS: 831197-14-9
• 化学式: C₉H₁₉NO
• 分子量: 157.256
• InChiKey: MAQOYEOSBSKJJF-SECBINFHSA-N

物化性质

• 沸点：
  230.7±13.0 °C(Predicted)
• 密度：
  0.941±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  11
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  23.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-[(3S)-3-propan-2-ylpyrrolidin-1-yl]ethanol 在 钯 偶氮二甲酸二异丙酯 、 四丁基氟化铵 、 甲酸铵 、 溶剂黄146 、 三苯基膦 作用下， 以 四氢呋喃 、 乙醇 、 水 、 乙酸乙酯 为溶剂， 生成 (2S,3R)-3-(4-Hydroxy-phenyl)-2-(4-{2-[3-((S)-isopropyl)-pyrrolidin-1-yl]-ethoxy}-phenyl)-2,3-dihydro-benzo[1,4]oxathiin-6-ol
  参考文献：
  名称：

  Estrogen receptor ligands. Part 9: Dihydrobenzoxathiin SERAMs with alkyl substituted pyrrolidine side chains and linkers

  摘要：

  A series of dihydrobenzoxathiin SERAMs with alkylated pyrrolidine side chains or alkylated linkers was prepared. Minor modifications in the side chain or linker resulted in significant effects on biological activity, especially in uterine tissue.

  DOI：

  10.1016/j.bmcl.2004.10.036
• 作为产物：
  描述：

  3-isopropylsuccinic anhydride 在 lithium aluminium tetrahydride 、 三乙胺 作用下， 以 乙醚 、 二氯甲烷 为溶剂， 生成 2-[(3S)-3-propan-2-ylpyrrolidin-1-yl]ethanol
  参考文献：
  名称：

  Estrogen receptor ligands. Part 9: Dihydrobenzoxathiin SERAMs with alkyl substituted pyrrolidine side chains and linkers

  摘要：

  A series of dihydrobenzoxathiin SERAMs with alkylated pyrrolidine side chains or alkylated linkers was prepared. Minor modifications in the side chain or linker resulted in significant effects on biological activity, especially in uterine tissue.

  DOI：

  10.1016/j.bmcl.2004.10.036

文献信息

• TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF
  申请人：Babu Srinivasan

  公开号：US20110201593A1

  公开（公告）日：2011-08-18

  The invention provides novel compounds of formula I having the general formula: wherein R 1 , R 2 , R 3 , X and Y are as described herein. Accordingly, the compounds may be provided in pharmaceutically acceptable compositions and used for the treatment of immunological or hyperproliferative disorders.

  本发明提供了具有以下一般式的新化合物I： 其中R1、R2、R3、X和Y如本文所述。因此，这些化合物可以在药学上可接受的组合物中提供，并用于治疗免疫或过度增生性疾病。
• URACIL DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES
  申请人：Shiro Tomoya

  公开号：US20140179670A1

  公开（公告）日：2014-06-26

  The present invention provides: an uracil derivative represented by general formula (I) or a physiologically acceptable salt thereof (in the formula, R 1 represents a hydrogen atom, a C 1-10 alkyl group, a C 2-6 alkene group or a 3- to 6-membered saturated or 4- to 6-membered unsaturated aliphatic ring group which may contain 1 to 2 hetero atoms independently selected from the group consisting of N, O and S; R 2 represents a hydrogen atom, a halogen atom, a cyano group, —NR c R d , —N═CHN(CH 3 ) 2 , or an C 1-3 alkyl group; Ar 1 and Ar 2 independently represent a 5- to 6-membered aromatic ring group which may contain 1 to 3 hetero atoms independently selected from the group consisting of N, O and S; and L represents a 6-membered aromatic ring group which may contain 1 to 4 nitrogen atoms, a pyrazole group, a triazole group, or an imidazole group); and a therapeutic agent or prophylactic agent for various inflammatory diseases associated with elastase, comprises the compound or the like as an active ingredient.

  本发明提供：一种尿嘧啶衍生物，其由通式（I）表示，或其生理上可接受的盐（在该式中，R1代表氢原子，C1-10烷基，C2-6烯基或3-至6-成员饱和或4-至6-成员不饱和的脂肪环基，该环基可以独立地选择来自N，O和S的1到2个杂原子；R2代表氢原子，卤素原子，氰基，—NRcRd，—N═CHN(CH3)2或C1-3烷基；Ar1和Ar2独立地表示5-至6-成员芳香环基，该环基可以独立地选择来自N，O和S的1到3个杂原子；L表示6-成员芳香环基，该环基可以包含1到4个氮原子，吡唑基，三唑基或咪唑基）；以及用作与弹性酶相关的各种炎症性疾病的治疗剂或预防剂，包括该化合物或类似物作为活性成分。
• US8461328B2
  申请人：——

  公开号：US8461328B2

  公开（公告）日：2013-06-11
• US9040516B2
  申请人：——

  公开号：US9040516B2

  公开（公告）日：2015-05-26
• Estrogen receptor ligands. Part 9: Dihydrobenzoxathiin SERAMs with alkyl substituted pyrrolidine side chains and linkers
  作者：Timothy A. Blizzard、Frank DiNinno、Jerry D. Morgan、Helen Y. Chen、Jane Y. Wu、Seongkon Kim、Wanda Chan、Elizabeth T. Birzin、Yi Tien Yang、Lee-Yuh Pai、Paula M.D. Fitzgerald、Nandini Sharma、Ying Li、Zhoupeng Zhang、Edward C. Hayes、Carolyn A. DaSilva、Wei Tang、Susan P. Rohrer、James M. Schaeffer、Milton L. Hammond

  DOI：10.1016/j.bmcl.2004.10.036

  日期：2005.1

  A series of dihydrobenzoxathiin SERAMs with alkylated pyrrolidine side chains or alkylated linkers was prepared. Minor modifications in the side chain or linker resulted in significant effects on biological activity, especially in uterine tissue.