S-[(3R,6S)-3-nitrooxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] ethanethioate

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 呋喃类
• 英文名称: S-[(3R,6S)-3-nitrooxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] ethanethioate
• 化学式: C8H11NO6S
• 分子量: 249.24
• InChiKey: BXZDULYKEZVEEK-NYOFMCRDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  116
• 氢给体数：
  0
• 氢受体数：
  7

文献信息

• STEREOSPECIFIC METHOD FOR THE PREPARATION OF DIOXA-BICYCLOOCTANE NITRATE COMPOUNDS
  申请人：Moliner Jose Repolles

  公开号：US20100160652A1

  公开（公告）日：2010-06-24

  This invention relates to a new method for the stereospecific thiocarboxylation and nitration of organic compounds for the preparation of compounds according to formula (I): comprising the following steps: (a) reacting a compound of formula (II): with a sulfonic derivative of formula (III) wherein the R is chosen from the groups C 1-3 -alkyl, C 1-3 -alkyl substituted with 1 to 3 halogen atoms, phenyl, C 1-3 -alkyl-phenyl and C 1-3 -alkyl-phenyl wherein the alkyl is substituted with 1 to 3 halogen atoms and G is a halogen atomo or a group —O—SO 2 —R wherein R is as hereinabove defined to yield a compound of formula (IV) (b) treating compound (IV) with a thiocarboxylic acid of formula (V) or a salt thereof: wherein Z is as defined above, to yield compound (VI) and (c) treating compound (VI) with tetrabutylammonium nitrate to yield a compound of formula (I).

  本发明涉及一种用于立体特异性有机化合物的硫代羧化和硝化制备的新方法，包括以下步骤：(a)将式子(II)的化合物与式子(III)的磺酸衍生物反应，其中R选择自C1-3-烷基，C1-3-烷基取代1至3个卤素原子，苯基，C1-3-烷基苯基和C1-3-烷基取代1至3个卤素原子的苯基，G是卤原子或基团-O-SO2-R，其中R如上所定义，生成式子(IV)的化合物；(b)用式子(V)的硫代羧酸或其盐处理化合物(IV)，其中Z如上所定义，生成化合物(VI)；(c)用四丁基铵硝酸盐处理化合物(VI)，生成式子(I)的化合物。
• New stereospecific method for the preparation of dioxa bicyclooctane nitrate compounds
  申请人：LACER, S.A.

  公开号：EP2199294A1

  公开（公告）日：2010-06-23

  This invention relates to a new method for the stereospecific thiocarboxylation and nitration of organic compounds for the preparation of compounds according to formula (I): by treating a compound of formula (VI) and with tetrabutylammonium nitrate.

  本发明涉及一种新的立体特异性有机化合物的硫代羧酰化和硝化制备方法，通过处理式（VI）化合物和四丁基铵硝酸盐来制备式（I）化合物。
• US8106224B2
  申请人：——

  公开号：US8106224B2

  公开（公告）日：2012-01-31
• [EN] NEW STEREOSPECIFIC METHOD FOR THE PREPARATION OF DIOXA-BICYCLOOCTANE NITRATE COMPOUNDS<br/>[FR] NOUVEAU PROCÉDÉ STÉRÉOSPÉCIFIQUE POUR PRÉPARER DES COMPOSÉS DE NITRATE DE DIOXA-BICYCLO-OCTANE
  申请人：LACER SA

  公开号：WO2010070079A1

  公开（公告）日：2010-06-24

  This invention relates to a new method for the stereospecif ic thiocarboxylation and nitration of organic compounds for the preparation of compounds according to formula (I): comprising the following steps: (a) reacting a compound of formula (II) with a sulfonic derivative of formula (III) wherein the R is selected from the groups C1-3-alkyl, C1-3-alkyl substituted with 1 to 3 halogen atoms, phenyl, C1-3-alkyl-phenyl and C1-3-alkyl-phenyl wherein the alkyl is substituted with 1 to 3 halogen atoms and G is a halogen atomo or a group -O-SO2-R wherein R is as hereinabove defined to yield a compound of formula (IV) (b) treating compound (IV) with a thiocarboxylic acid of formula (V) or a salt thereof: wherein Z is as defined above, to yield compound (VI) and (c) treating compound (VI) with tetrabutylammonium nitrate to yield a compound of formula (I).