methacryloxyethoxypropyl hexamethyl-trisiloxane propanol | 1392009-59-4

• 分子结构分类: 有机化合物 - 有机金属化合物 - 有机类金属化合物
• 英文名称: methacryloxyethoxypropyl hexamethyl-trisiloxane propanol
• 英文别名: 2-[3-[[[[3-Hydroxypropyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethyl 2-methylprop-2-enoate；2-[3-[[[[3-hydroxypropyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethyl 2-methylprop-2-enoate
• CAS: 1392009-59-4
• 化学式: C₂₀H₄₆O₇Si₄
• 分子量: 510.923
• InChiKey: QFPKCUDTGHSJBJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.76
• 重原子数：
  31
• 可旋转键数：
  18
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.85
• 拓扑面积：
  83.4
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  methacryloxyethoxypropyl hexamethyl-trisiloxane propanol 在 三乙胺 作用下， 以 乙腈 为溶剂， 生成 3-[[[[Dimethyl-[3-[2-(2-methylprop-2-enoyloxy)ethoxy]propyl]silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl 2-(trimethylazaniumyl)ethyl phosphate
  参考文献：
  名称：

  SILICONE CONTAINING MONOMERS WITH HYDROPHILIC END GROUPS

  摘要：

  公开了一种具有式I的含有反应单体的硅含有亲水端基，用于制造生物相容性医疗器械，其中R1为H或CH3，a为0或1，p为1到6的整数，q为1到3的整数，对于每个q，端基R51、R52、R53独立地为烷基、烷基醚、脲、三甲基硅氧基团或取代或未取代的芳香基，并且其中至少一个具有连接的亲水基团Z，其中所述的亲水基团Z选自聚乙二醇、聚丙烯醇、聚乙基噁唑烷、聚甲基噁唑烷、透明质酸或其组合的群组，优选地连接到R51、R52、R53的末端，X为O或NR54，其中R54为H或具有1到4个碳的一价烷基，n为1到100的整数，R2和R3独立地为烷基、烷基醚、三甲基硅氧基团或取代或未取代的芳香基，优选的R2和R3包括甲基、乙基、三甲基硅氧基和苯基，L为二价连接剂，包括取代和未取代的具有1-14个碳原子的烷基烃基，可能是直链或支链，取代和未取代的具有2-12个碳原子的烷氧基团，聚醚，噁唑烷，取代和未取代的杂环基团。这些反应单体将氧透过性硅组分与具有能够到达器械生物界面的亲水末端基团结合，从而提供有利于制造医疗器械的体积和表面特性，特别是眼科器械。

  公开号：

  US20170088564A1

文献信息

• [EN] SILICONE CONTAINING MONOMERS WITH HYDROPHILIC END GROUPS<br/>[FR] SILICONE CONTENANT DES MONOMÈRES PORTANT DES GROUPES TERMINAUX HYDROPHILES
  申请人：DSM IP ASSETS BV

  公开号：WO2012104349A1

  公开（公告）日：2012-08-09

  Silicone containing reactive monomers with hydrophilic end-groups of formula I useful in the manufacture of biocompatible medical devices are disclosed, wherein R1 is H or CH3, a is 0 or 1, p is an integer from 1 to 6, q is an integer from 1 to 3 and for each q, the end groups R51, R52, R53 are independently an alkyl, alkyl ether, trimethylsiloxy group, or a substituted or non-substituted aromatic group and at least one of them has a hydrophilic group attached, preferably to the terminal end of R51, R52, R53, X is O or NR54, where R54 is H or a monovalent alkyl group with 1 to 4 carbons, n is an integer from 1 to 100, R2 and R3 are independently an alkyl, alkyl ether, or a substituted or non-substituted aromatic group, preferred R2 and R3 include methyl, ethyl, and phenyl, L is a divalent linker comprising substituted and unsubstituted alkylene groups having 1-14 carbon atoms, which may be straight or branched, substituted and unsubstituted alkoxy groups having 2-12 carbons, polyethers, oxazolines, and substituted and unsubstituted heterocyclic groups. Suitable substituents include aryl, amine, ether, amide, hydroxyl groups, combinations thereof and the like. In another embodiment, L comprises a straight or branched alkylene group having 2 to 12 carbons. The reactive monomers combine oxygen permeable silicone components with hydrophilic terminal groups capable of reaching to the device-biologic interface thus providing bulk and surface characteristics useful in the manufacture of medical devices, particularly ophthalmic devices.

  本发明揭示了具有公式I的含有反应单体的硅氧烷，其末端基团具有亲水性，在生物相容性医疗器械的制造中有用。在公式中，R1为H或CH3，a为0或1，p为1到6的整数，q为1到3的整数，对于每个q，末端基团R51、R52、R53独立地是烷基、烷基醚、三甲基硅氧基团或取代或未取代的芳香基，并且它们中至少有一个连接有亲水基，最好连接在R51、R52、R53的末端，X为O或NR54，其中R54为H或具有1到4个碳的一价烷基，n为1到100的整数，R2和R3独立地是烷基、烷基醚或取代或未取代的芳香基，首选的R2和R3包括甲基、乙基和苯基，L为二价连接剂，包括取代和未取代的具有1-14个碳原子的烷基烃基，可能是直链或支链，取代和未取代的具有2-12个碳原子的烷氧基，聚醚，噁唑烯，取代和未取代的杂环基。合适的取代基包括芳基、胺、醚、酰胺、羟基等，另一实施方式中，L包括具有2到12个碳原子的直链或支链烷基。这些含有反应单体的硅氧烷结合了氧渗透性硅氧部分和具有能够到达器械生物界面的亲水末端基团，从而提供了在制造医疗器械中有用的体积和表面特性，特别是眼科器械。
• SILICONE CONTAINING MONOMERS WITH HYDROPHILIC END GROUPS
  申请人：DSM IP ASSETS B.V.

  公开号：US20170088564A1

  公开（公告）日：2017-03-30

  Silicone containing reactive monomers with hydrophilic end-groups of formula I useful in the manufacture of biocompatible medical devices are disclosed, wherein R 1 is H or CH 3 , a is 0 or 1, p is an integer from 1 to 6, q is an integer from 1 to 3 and for each q, the end groups R 51 , R 52 , R 53 are independently an alkyl, alkyl ether, urethane, trimethylsiloxy group, or a substituted or non-substituted aromatic group and at least one of them has a hydrophilic group Z attached wherein said hydrophilic group Z is selected from the group of poly(ethylene glycol), poly(propylene glycol), poly(ethyl oxazoline), poly(methyl oxazoline), hyaluronic acid, or combinations thereof, preferably to the terminal end of R 51 , R 52 , R 53 , X is O or NR 54 , where R 54 is H or a monovalent alkyl group with 1 to 4 carbons, n is an integer from 1 to 100, R 2 and R 3 is independently an alkyl, alkyl ether, trimethylsiloxy group, or a substituted or non-substituted aromatic group, preferred R 2 and R 3 include methyl, ethyl, trimethylsiloxy and phenyl, L is a divalent linker comprising substituted and unsubstituted alkylene groups having 1-14 carbon atoms, which may be straight or branched, substituted and unsubstituted alkoxy groups having 2-12 carbons, polyethers, oxazolines, substituted and unsubstituted heterocyclic groups. The reactive monomers combine oxygen permeable silicone components with hydrophilic terminal groups capable of reaching to the device-biologic interface thus providing bulk and surface characteristics useful in the manufacture of medical devices, particularly ophthalmic devices.

  公开了一种具有式I的含有反应单体的硅含有亲水端基，用于制造生物相容性医疗器械，其中R1为H或CH3，a为0或1，p为1到6的整数，q为1到3的整数，对于每个q，端基R51、R52、R53独立地为烷基、烷基醚、脲、三甲基硅氧基团或取代或未取代的芳香基，并且其中至少一个具有连接的亲水基团Z，其中所述的亲水基团Z选自聚乙二醇、聚丙烯醇、聚乙基噁唑烷、聚甲基噁唑烷、透明质酸或其组合的群组，优选地连接到R51、R52、R53的末端，X为O或NR54，其中R54为H或具有1到4个碳的一价烷基，n为1到100的整数，R2和R3独立地为烷基、烷基醚、三甲基硅氧基团或取代或未取代的芳香基，优选的R2和R3包括甲基、乙基、三甲基硅氧基和苯基，L为二价连接剂，包括取代和未取代的具有1-14个碳原子的烷基烃基，可能是直链或支链，取代和未取代的具有2-12个碳原子的烷氧基团，聚醚，噁唑烷，取代和未取代的杂环基团。这些反应单体将氧透过性硅组分与具有能够到达器械生物界面的亲水末端基团结合，从而提供有利于制造医疗器械的体积和表面特性，特别是眼科器械。