17β-estradiol | 15093-14-8

• 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: 17β-estradiol
• 英文别名: 18-norestradiol；estrogen；18-Noroestradiol (Δ^1,3,5(10)-Gonatrien-3,17-diol)；18-nor-17β-estradiol；18-Nor-17beta-estradiol；(8S,9S,13S,14S,17S)-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
• CAS: 15093-14-8
• 化学式: C₁₇H₂₂O₂
• 分子量: 258.36
• InChiKey: MSBFOZNDVHIKJM-NRKLIOEPSA-N

物化性质

• 熔点：
  251-253 °C(Solv: ethanol (64-17-5))
• 沸点：
  451.0±45.0 °C(Predicted)
• 密度：
  1.185±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  19
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  40.5
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  17β-estradiol 、 3,4,6-三邻苄基半乳醛 在 fac-tris(2-phenylpyridinato-N,C2')iridium(III) 、 溴乙腈 作用下， 以 二氯甲烷 为溶剂， 以81%的产率得到3-O-(2-deoxy-3,4,6-tri-O-benzyl-α-D-galactopyranosyl)-17-O-(2-deoxy-3,4,6-tri-O-benzyl-α-D-galactopyranosyl)-estradiol
  参考文献：
  名称：

  Iterative Synthesis of 2‐Deoxyoligosaccharides Enabled by Stereoselective Visible‐Light‐Promoted Glycosylation

  摘要：

  AbstractThe photoinitiated intramolecular hydroetherification of alkenols has been used to form C−O bonds, but the intermolecular hydroetherification of alkenes with alcohols remains an unsolved challenge. We herein report the visible‐light‐promoted 2‐deoxyglycosylation of alcohols with glycals. The glycosylation reaction was completed within 2 min in a high quantum yield (ϕ=28.6). This method was suitable for a wide array of substrates and displayed good reaction yields and excellent stereoselectivity. The value of this protocol was further demonstrated by the iterative synthesis of 2‐deoxyglycans with α‐2‐deoxyglycosidic linkages up to a 20‐mer in length and digoxin with β‐2‐deoxyglycosidic linkages. Mechanistic studies indicated that this reaction involved a glycosyl radical cation intermediate and a photoinitiated chain process.

  DOI：

  10.1002/anie.202114726
• 作为产物：
  描述：

  3-((1S,4aS,10aS)-7-methoxy-2-methylene-1,2,3,4,4a,9,10,10a-octahydrophenanthren-1-yl)propanenitrile 在 sodium hydroxide 、 lithium aluminium tetrahydride 、 锂硼氢 、 dimsylsodium 、 水 、 二异丁基氢化铝 、 臭氧 、 三乙胺 、 lithium bromide 、 儿萘酚硼烷 作用下， 以 四氢呋喃 、 甲醇 、 乙醚 、 乙醇 、 二氯甲烷 、 二甲基亚砜 、 丙酮 、 苯 为溶剂， 反应 24.0h， 生成 17β-estradiol
  参考文献：
  名称：

  New Synthesis of 18-Norestradiol

  摘要：

  DOI：

  10.1002/(sici)1522-2675(19990113)82:1<30::aid-hlca30>3.0.co;2-t

文献信息

• Dental composition
  申请人：DENTSPLY DETREY GmbH

  公开号：EP2963025A1

  公开（公告）日：2016-01-06

  Dental composition comprising (a) one or more di- or polyepoxides having 2 to 5 epoxide groups and having a molecular weight of from 200 to 700 Da, or a macromonomeric reaction product obtainable by reacting the diepoxide with a dicarboxylic acid in a molar ratio [diepoxide]/[dicarboxylic acid] of at least 2; (b) one or more primary monoamines and/or disecondary diamines; (c) optionally one or more aliphatic polyamines; (d) a particulate filler, wherein the molar ratio of epoxide groups in component (a) to the N-H bonds in component (b) and (c) [epoxide(a)]/[N-H(b),(c)] is in the range of from 0.9 to 1.1; wherein the di- or polyepoxide having 2 to 5 epoxide groups is a compound of the following formula (I):          A(BZm)n     (I) wherein A represents an n-valent organic moiety optionally having 1 to 10 heteroatoms selected from oxygen atoms and sulfur atoms; and B represents an m+1-valent organic moiety, Z is an epoxide group which may have a substituent, m which are independent from each other represent an integer of at least 1; and n is an integer of from 1 to 5; wherein the m are selected so that 2 to 5 epoxide groups are present; wherein the composition does not contain any 2,2-bis-(4-hydroxyphenyl)-propane, or 2,2-bis-(4-hydroxyphenyl)-methane.

  牙科组合物，包括 (a) 一种或多种具有 2 至 5 个环氧基团且分子量为 200 至 700 Da 的二环氧化物 或多环氧化物，或通过二环氧化物与二羧酸反应得到的大单体反应产物， 其摩尔比[二环氧化物]/[二羧酸]至少为 2； (b) 一种或多种伯胺和/或二元二胺； (c) 可选的一种或多种脂肪族多胺； (d) 微粒填料、 其中，组分（a）中环氧化物基团与组分（b）和（c）中 N-H 键的摩尔比[环氧化物（a）]/[N-H（b），（c）]在 0.9 至 1.1 之间； 其中具有 2 至 5 个环氧化物基团的二环氧化物或多环氧化物是下式 (I) 的化合物： A(BZm)n (I) 其中 A 代表 n 价有机分子，可选择具有 1 至 10 个杂原子，这些杂原子选自氧原子和硫原子；以及 B 代表 m+1 价有机分子、 Z 是环氧基团，可具有取代基、 m 代表至少 1 的整数；以及 n 是 1 至 5 的整数； 其中 m 的选择使环氧基团的数量为 2 至 5 个； 其中组合物不含任何 2,2-双-(4-羟基苯基)-丙烷或 2,2-双-(4-羟基苯基)-甲烷。
• DENTAL COMPOSITION
  申请人：DENTSPLY DETREY GMBH

  公开号：US20170156992A1

  公开（公告）日：2017-06-08

  Dental composition comprising (a) at least two di- or polyepoxides having 2 to 5 epoxide groups and having a molecular weight of from 200 to 700 Da, or a macromonomeric reaction product obtainable by reacting the diepoxide with a dicarboxylic acid in a molar ratio [diepoxide]/[dicarboxylic acid] of at least 2; (b) one or more primary monoamines and/or disecondary diamines; (c) optionally one or more aliphatic polyamines; (d) a particulate filler, wherein the molar ratio of epoxide groups in component (a) to the N—H bonds in component (b) and (c) [epoxide (a) ]/[N—H (b),(c) ] is in the range of from 0.9 to 1.1; wherein the di- or polyepoxide having 2 to 5 epoxide groups is a compound of the following formula (I): A(BZ m ) n (I) wherein A represents an n-valent organic moiety optionally having 1 to 10 heteroatoms selected from oxygen atoms and sulfur atoms; and B represents an m+1-valent organic moiety, Z is an epoxide group which may have a substituent, m which are independent from each other represent an integer of at least 1; and n is an integer of from 1 to 5; wherein the m are selected so that 2 to 5 epoxide groups are present; wherein the composition does not contain any 2,2-bis-(4-hydroxyphenyl)-propane, or 2,2-bis-(4-hydroxyphenyl)-methane.
• [EN] DENTAL COMPOSITION<br/>[FR] COMPOSITION DENTAIRE
  申请人：DENTSPLY DETREY GMBH

  公开号：WO2016001344A1

  公开（公告）日：2016-01-07

  Dental composition comprising (a) at least two di- or polyepoxides having 2 to 5 epoxide groups and having a molecular weight of from 200 to 700 Da, or a macromonomeric reaction product obtainable by reacting the diepoxide with a dicarboxylic acid in a molar ratio [diepoxide]/[dicarboxylic acid] of at least 2; (b) one or more primary monoamines and/or disecondary diamines; (c) optionally one or more aliphatic polyamines; (d) a particulate filler, wherein the molar ratio of epoxide groups in component (a) to the N-H bonds in component (b) and (c) [epoxide(a)]/[N-H(b),(c)] is in the range of from 0.9 to 1.1; wherein the di- or polyepoxide having 2 to 5 epoxide groups is a compound of the following formula (I): A(BZm)n (I) wherein A represents an n-valent organic moiety optionally having 1 to 10 heteroatoms selected from oxygen atoms and sulfur atoms; and B represents an m+1-valent organic moiety, Z is an epoxide group which may have a substituent, m which are independent from each other represent an integer of at least 1; and n is an integer of from 1 to 5; wherein the m are selected so that 2 to 5 epoxide groups are present; wherein the composition does not contain any 2,2-bis-(4-hydroxyphenyl)-propane, or 2,2-bis-(4-hydroxyphenyl)-methane.