3-carboethoxymethylbenzylzinc(II) bromide | 749245-79-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3-carboethoxymethylbenzylzinc(II) bromide
• CAS: 749245-79-2
• 化学式: C₁₁H₁₃BrO₂Zn
• 分子量: 322.517
• InChiKey: KWOIQAAFRYMSRK-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  2.68
• 重原子数：
  15.0
• 可旋转键数：
  5.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  26.3
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  3-carboethoxymethylbenzylzinc(II) bromide 、 (3R,4R)-2-methylene-3-[(3'S)-3'-(t-butyldimethylsiloxy)-3'-cyclohexylprop-1'-ynyl]-4-(t-butyldimethylsiloxy)cyclopentan-1-one 在 copper(I) cyanide*2 lithium chloride 、 三甲基氯硅烷 、 4-甲基苯磺酸吡啶 作用下， 以 四氢呋喃 、 乙醚 、 异丙醇 为溶剂， 反应 13.33h， 生成 3, 4, 5, 16, 17, 18, 19, 20-octanol-2, 6-inter-m-phenylene-15-cyclohexyl-13, 14-didehydro-PGE1 ethyl ester 11, 15-bis(tert-butyldimethylsilyl ether)
  参考文献：
  名称：

  EP1598335

  摘要：

  公开号：

文献信息

• Prostaglandin derivatives
  申请人：Sato Fumie

  公开号：US20060270740A1

  公开（公告）日：2006-11-30

  A prostaglandin derivative represented by the formula (wherein X is a halogen atom; Y is ethylene group, vinylene group or ethylylene group; Z is a group represented by —(CH 2 ) m , —O(CH 2 ) n — or —S(O) p —(CH 2 ) n — (m is an integer of 0 to 3; n is an integer of 0 to 2; and p is an integer of 0 to 2); R 1 is a hydrogen atom, a C 1-5 alkyl group or a substituted C 1-5 alkyl group; R 2 is a C 3-10 cycloalkyl group, a C 3-10 cycloalkyl group substituted by C 1-4 alkyl group or C 4-15 cycloalkylalkyl group; and R 3 is a hydrogen atom, a halogen atom or a C 1-5 alkyl group or a substituted C 1-5 alkyl group), a pharmaceutically acceptable salt thereof or a hydrate thereof which has an excellent antagonism to prostaglandin DP receptor and, therefore, is useful against diseases such as allergic rhinitis, nasal obstruction, asthma, allergic conjunctivitis, systemic mastocytosis and disorder of systemic mast cell activation.

  一种前列腺素衍生物，其化学式为：其中X为卤素原子；Y为乙烯基，乙烯基或乙基基；Z为由-(CH2)m，-O( )n-或-S(O)p-( )n-表示的基团（其中m为0至3的整数；n为0至2的整数；p为0至2的整数）；R1为氢原子，C1-5烷基或取代的C1-5烷基；R2为C3-10环烷基，C3-10环烷基被C1-4烷基或C4-15环烷基烷基取代；R3为氢原子，卤素原子或C1-5烷基或取代的C1-5烷基，其药物可接受的盐或水合物对前列腺素DP受体具有优异的拮抗作用，因此对过敏性鼻炎，鼻塞，哮喘，过敏性结膜炎，系统性肥大细胞病和系统性肥大细胞激活障碍等疾病有用。
• PROSTAGLANDIN DERIVATIVES
  申请人：TAISHO PHARMACEUTICAL CO., LTD

  公开号：EP1598335A1

  公开（公告）日：2005-11-23

  A prostaglandin derivative represented by the formula (wherein X is a halogen atom; Y is ethylene group, vinylene group or ethylylene group; Z is a group represented by -(CH2)m-, -O(CH2)n- or -S(O)p-(CH2)n- (m is an integer of 0 to 3; n is an integer of 0 to 2; and p is an integer of 0 to 2); R1 is a hydrogen atom, a C1-5 alkyl group or a substituted C1-5 alkyl group; R2 is a C3-10 cycloalkyl group, a C3-10 cycloalkyl group substituted by C1-4 alkyl group or C4-15 cycloalkylalkyl group; and R3 is a hydrogen atom, a halogen atom or a C1-5 alkyl group or a substituted C1-5 alkyl group), a pharmaceutically acceptable salt thereof or a hydrate thereof which has an excellent antagonism to prostaglandin DP receptor and, therefore, is useful against diseases such as allergic rhinitis, nasal obstruction, asthma, allergic conjunctivitis, systemic mastocytosis and disorder of systemic mast cell activation.

  一种由式表示的前列腺素衍生物 (其中X是卤素原子；Y是乙烯基、乙烯基或乙烯基；Z是由-(CH2)m-、-O( )n-或-S(O)p-( )n-所代表的基团(m是0至3的整数；n是0至2的整数；p是0至2的整数)；R1是氢原子、C1-5烷基或取代的C1-5烷基；R2是环烷基；R1是氢原子、C1-5烷基或取代的C1-5烷基；R1 是氢原子、C1-5 烷基或取代的 C1-5 烷基；R2 是 C3-10 环烷基、被 C1-4 烷基取代的 C3-10 环烷基或 C4-15 环烷基；R3是氢原子、卤素原子或C1-5烷基或取代的C1-5烷基）、其药学上可接受的盐或其水合物，对前列腺素DP受体有很好的拮抗作用，因此可用于治疗过敏性鼻炎、鼻阻塞、哮喘、过敏性结膜炎、全身性肥大细胞增多症和全身性肥大细胞活化障碍等疾病。