2-(3-Chloro-1-methoxypropyl)-2,5,5-trimethyl-1,3-dioxane | 875429-47-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-(3-Chloro-1-methoxypropyl)-2,5,5-trimethyl-1,3-dioxane
• CAS: 875429-47-3
• 化学式: C₁₁H₂₁ClO₃
• 分子量: 236.73
• InChiKey: NWJKCRMADSBXTQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  27.7
• 氢给体数：
  0
• 氢受体数：
  3

文献信息

• [EN] PROCESS FOR THE PREPARATION 2-SUBSTITUTED-DERIVATIVES OF ESTRONE AND ESTRADIOL<br/>[FR] PROCÉDÉ DE FABRICATION DE DÉRIVÉS 2-SUBSTITUÉS D'ESTRONE ET D'ESTRADIOL
  申请人：AKZO NOBEL NV

  公开号：WO2006013196A1

  公开（公告）日：2006-02-09

  The invention provides a process for the preparation of 2- substituted-derivatives of estrone and estradiol comprising i) the preparation of a compound of general formula (II) by reacting a compound of general formula (I) in one or more steps to a compound of general formula II wherein Rl is a C1-C10 alkyl, alkenyl or aryl group; -C1, -Br, -I, -F; -CN; -OH; or a -OR2, -O(CO)R2 or -R2-OH group, wherein R2 is an alkyl or alkylene group having 1-6 C atoms; and the bonding between atoms 9 and 10 is a single or a double bond. ii) aromatization of the compound of general formula II to a compound of general formula III wherein Rl and R2 have the above defined meanings; and iii) optionally, reduction of the compound of general formula III to a compound of general formula IV wherein Rl and R2 have the above defined meanings . Furthermore the invention provides several novel compounds, which can be intermediates in the above process, and processes to prepare these novel compounds . The invention also provides 2-alkoxy-estrone, 2-alkoxy- estradiol or mixtures thereof essentially free from other estrogenic intermediates.

  该发明提供了一种制备雌酮和雌二醇的2-取代衍生物的方法，包括：i) 通过将通式(I)的化合物在一个或多个步骤中与通式(II)的化合物反应制备通式(II)的化合物，其中R1是C1-C10烷基、烯基或芳基；-C1、-Br、-I、-F；-CN；-OH；或一个-OR2、-O(CO)R2或-R2-OH基团，其中R2是具有1-6个碳原子的烷基或烷基烯基基团；以及原子9和10之间的键合是单键或双键。ii) 将通式(II)的化合物芳构化为通式(III)的化合物，其中R1和R2具有上述定义的含义；以及iii) 可选地，将通式(III)的化合物还原为通式(IV)的化合物，其中R1和R2具有上述定义的含义。此外，该发明提供了几种新化合物，可以作为上述过程中的中间体，并提供了制备这些新化合物的方法。该发明还提供了基本不含其他雌激素中间体的2-烷氧基雌酮、2-烷氧基雌二醇或它们的混合物。
• VERFAHREN ZUR HERSTELLUNG VON 3-AMINO-5-(HYDROXYMETHYL)CYCLOPENTAN-1,2-DIOLDERIVATEN
  申请人：Lonza AG

  公开号：EP1771434A2

  公开（公告）日：2007-04-11
• PROCESS FOR THE PREPARATION 2-SUBSTITUTED-DERIVATIVES OF ESTRONE AND ESTRADIOL
  申请人：N.V. Organon

  公开号：EP1776378A1

  公开（公告）日：2007-04-25
• Process for the preparation 2-substituted-derivatives of estrone and estradiol
  申请人：Stoelwinder Johannaes

  公开号：US20090012319A1

  公开（公告）日：2009-01-08

  The invention provides a process for the preparation of 2-substituted-derivatives of estrone and estradiol. The invention also provides several novel compounds, which can be intermediates in the process, and processes to prepare these novel compounds. The invention also provides 2-alkoxy-estrone, 2-alkoxy-estradiol or mixtures thereof essentially free from other estrogenic intermediates.
• PROCESS FOR THE PREPARATION 2-SUBSTITUTED DERIVATIVES OF ESTRONE AND ESTRADIOL
  申请人：STOELWINDER Johannes

  公开号：US20110152544A1

  公开（公告）日：2011-06-23

  The invention provides a process for the preparation of 2-substituted-derivatives of estrone and estradiol comprising i) the preparation of a compound of general formula (II) by reacting a compound of general formula (I) in one or more steps to a compound of general formula II wherein R1 is a C1-C10 alkyl, alkenyl or aryl group; —Cl, —Br, —I, —F; —CN; —OH; or a —OR2, —O(CO)R2 or —R2-OH group, wherein R2 is an alkyl or alkylene group having 1-6 C atoms; and the bonding between atoms 9 and 10 is a single or a double bond. ii) aromatization of the compound of general formula II to a compound of general formula III wherein R1 and R2 have the above defined meanings; and iii) optionally, reduction of the compound of general formula III to a compound of general formula IV wherein R1 and R2 have the above defined meanings. Furthermore the invention provides several novel compounds, which can be intermediates in the above process, and processes to prepare these novel compounds. The invention also provides 2-alkoxy-estrone, 2-alkoxy-estradiol or mixtures thereof essentially free from other estrogenic intermediates.