2-(S)-(+)-(5-bromo-6-methoxy-2-naphthyl)propanoic acid 4-(nitrooxy)butyl ester | 669692-80-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 2-(S)-(+)-(5-bromo-6-methoxy-2-naphthyl)propanoic acid 4-(nitrooxy)butyl ester
• 英文别名: 2-(S)-(+)-(5-bromo-6-methoxy-2-naphthyl)propanoic acid, 4-(nitrooxy)butyl ester；4-nitrooxybutyl (2S)-2-(5-bromo-6-methoxynaphthalen-2-yl)propanoate
• CAS: 669692-80-2
• 化学式: C₁₈H₂₀BrNO₆
• 分子量: 426.264
• InChiKey: PAEHJKAWGUJJIQ-LBPRGKRZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  26
• 可旋转键数：
  9
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  90.6
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  5-溴萘普生 、 四溴丁基硝酸盐 在 三乙胺 作用下， 以 DMF (N,N-dimethyl-formamide) 为溶剂， 反应 48.0h， 以65%的产率得到2-(S)-(+)-(5-bromo-6-methoxy-2-naphthyl)propanoic acid 4-(nitrooxy)butyl ester
  参考文献：
  名称：

  [EN] PROCESS FOR PREPARING NITROOXYDERIVATIVES OF NAPROXEN
  [FR] PROCEDE DE PREPARATION DE DERIVES NITROOXY DU NAPROXENE

  摘要：

  本发明涉及一种制备通式（A）化合物的方法，其中R是萘普洛芬或溴萘普洛芬的基团，R1-R12为氢或烷基，m、n、o、q、r和s分别独立地为0到6的整数，p为0或1，X为O、S、SO、SO2、NR13或PR13或芳基、杂环芳基团，所述方法包括将通式（B）化合物：R-COOZ其中R如上定义，Z为氢或从Li+、Na+、K+、Ca++、Mg++、四烷基铵、四烷基磷酸盐中选择的阳离子，与通式（C）化合物反应，如描述中所述，其中R1-R12和m、n、o、p、q、r、s如上定义，Y为适当的脱离基团。

  公开号：

  WO2004020384A1

文献信息

• Process for preparing nitrooxyderivatives of naproxen
  申请人：Nicox S.A.

  公开号：US07199258B2

  公开（公告）日：2007-04-03

  The present invention refers to a process for preparing a compound of general formula (A), as reported in the description, wherein R is a radical of naproxen or bromonaproxen and R1–R12 are hydrogen or alkyl groups, m, n, o, q, r and s are each independently an integer from 0 to 6, and p is 0 or 1, and and X is O, S, SO, SO2, NR13 or PR13 or an aryl, heteroaryl group, said process comprising reacting a compound of formula (B) R—COOZ  (B) wherein R is as defined above and Z is hydrogen or a cation selected from: Li+, Na+, K+, Ca++, Mg++, tetralkylammonium, tetralkylphosphonium, with a compound of formula (C), as reported in the description, wherein R1–R12 and m, n, o, p, q, r, s are as defined above and Y is a suitable leaving group.

  本发明涉及一种制备一般式（A）化合物的方法，如说明书所述，其中R是萘普生或溴萘普生的基团，R1-R12是氢或烷基，m、n、o、q、r和s各自独立地为0至6的整数，p为0或1，X为O、S、SO、SO2、NR13或PR13或芳基、杂环基，该方法包括将化合物（B）R-COOZ与一种化合物（C）反应，如说明书所述，其中R为上述定义，Z为氢或从Li+、Na+、K+、Ca++、Mg++、四烷基铵、四烷基磷酸盐中选择的阳离子，R1-R12和m、n、o、p、q、r、s如上所述，Y为适当的离去基。
• PROCESS FOR PREPARING NITROOXYDERIVATIVES OF NAPROXEN
  申请人：NicOx S.A.

  公开号：EP1532098B1

  公开（公告）日：2009-11-18
• Process for preparing nitrooxyderivative of naproxen
  申请人：Del Soldato Piero

  公开号：US20060173005A1

  公开（公告）日：2006-08-03

  The present invention refers to a process for preparing a compound of general formula (A), as reported in the description, wherein R is a radical of naproxen or bromonaproxen and R 1 -R 12 are hydrogen or alkyl groups, m, n, o, q, r and s are each independently an integer from 0 to 6, and p is 0 or 1, and and X is O, S, SO, SO 2 , NR 13 or PR13 or an aryl, heteroaryl group, said process comprising reacting a compound of formula (B) R—COOZ   (B) wherein R is as defined above and Z is hydrogen or a cation selected from: Li+, Na+, K+, Ca++, Mg++, tetralkylammonium, tetralkylphosphonium, with a compound of formula (C), as reported in the description, wherein R1-R12 and m, n, o, p, q, r, s are as defined above and Y is a suitable leaving group.
• US7199258B2
  申请人：——

  公开号：US7199258B2

  公开（公告）日：2007-04-03
• [EN] PROCESS FOR PREPARING NITROOXYDERIVATIVES OF NAPROXEN<br/>[FR] PROCEDE DE PREPARATION DE DERIVES NITROOXY DU NAPROXENE
  申请人：NICOX SA

  公开号：WO2004020384A1

  公开（公告）日：2004-03-11

  The present invention refers to a process for preparing a compound of general formula (A), wherein R is a radical of naproxen or bromonaproxen and R1-R12 are hydrogen or alkyl groups, m, n, o, q, r and s are each independently an integer from 0 to 6, and p is 0 or 1, and X is O, S, SO, SO2, NR13 or PR13 or an aryl, heteroaryl group, said process comprising reacting a compound of formula (B) : R-COOZ wherein R is as defined above and Z is hydrogen or a cation selected from: Li+, Na+, K+, Ca++, Mg++, tetralkylammonium, tetralkylphosphonium, with a compound of formula (C), as reported in the description, wherein R1-R12 and m, n, o, p, q, r, s are as defined above and Y is a suitable leaving group.

  本发明涉及一种制备通式（A）化合物的方法，其中R是萘普洛芬或溴萘普洛芬的基团，R1-R12为氢或烷基，m、n、o、q、r和s分别独立地为0到6的整数，p为0或1，X为O、S、SO、SO2、NR13或PR13或芳基、杂环芳基团，所述方法包括将通式（B）化合物：R-COOZ其中R如上定义，Z为氢或从Li+、Na+、K+、Ca++、Mg++、四烷基铵、四烷基磷酸盐中选择的阳离子，与通式（C）化合物反应，如描述中所述，其中R1-R12和m、n、o、p、q、r、s如上定义，Y为适当的脱离基团。