2-propylthioethyl isocyanate

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 2-propylthioethyl isocyanate
• 英文别名: 1-(2-isocyanatoethylsulfanyl)propane
• 化学式: C₆H₁₁NOS
• 分子量: 145.225
• InChiKey: KYYIIFOYSMKIPO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  9
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  54.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-propylthioethyl isocyanate 、 5-氟脲嘧啶 、 在 水 、 magnesium sulfate 、 甲烷 、 乙酸乙酯 作用下， 以 N,N-二甲基乙酰胺 、 乙酸乙酯 为溶剂， 反应 8.0h， 以to give 1-[N-(2-propylthioethyl)carbamoyl]-5-fluorouracil的产率得到1-[N-(2-propylthioethyl)carbamoyl]-5-fluorouracil
  参考文献：
  名称：

  5-Fluorouracil derivatives, and their pharmaceutical compositions

  摘要：

  分子式为：##STR1## 其中R是从诺博烯基，诺博烯基，双环[2,2,2]-庚烷基和金刚烷基中选择的桥式脂环基，可以选择性地被至少一种取代基所取代，所述取代基选择自下列群体：低碳基，羧基，低碳基氧羰基，烷基二氧基，N，N-二（低）烷基氨基甲酰基，氨基，低碳基氧羰基氨基和卤素。该化合物在治疗人类和动物的癌症中有用。

  公开号：

  US04349552A1
• 作为产物：
  描述：

  二苯基膦叠氮化物 、 三乙胺 、 5-methylthiovaleric acid 以 苯 为溶剂， 反应 0.5h， 以to give a solution comprising 2-propylthioethyl isocyanate (I.R.: 2260 cm-1)的产率得到2-propylthioethyl isocyanate
  参考文献：
  名称：

  5-Fluorouracil derivatives, and their pharmaceutical compositions

  摘要：

  分子式为：##STR1## 其中R是从诺博烯基，诺博烯基，双环[2,2,2]-庚烷基和金刚烷基中选择的桥式脂环基，可以选择性地被至少一种取代基所取代，所述取代基选择自下列群体：低碳基，羧基，低碳基氧羰基，烷基二氧基，N，N-二（低）烷基氨基甲酰基，氨基，低碳基氧羰基氨基和卤素。该化合物在治疗人类和动物的癌症中有用。

  公开号：

  US04349552A1

文献信息

• 5-Fluorouracil derivatives, preparation thereof and their pharmaceutical compositions
  申请人：FUJISAWA PHARMACEUTICAL CO., LTD.

  公开号：EP0010941A1

  公开（公告）日：1980-05-14

  The present invention provides compounds of the general formula:- wherein R is an optionally substituted bridged alicyclic radical or a substituted lower alkyl radical, the substituent being an optionally substituted bridged alicyclic group, an amino, protected amino, lower alkoxy, acyl, lower alkylthio, cyano(lower)alkylthio, arylthio or optionally substituted heterocyclic radical or a carboxy and esterified carboxy group, with the proviso, that when the substituent is a carboxy or esterified carboxy group then the lower alkyl radical contains 3 to 6 carbon atoms; or an unsubstituted or substituted lower alkenyl radical, the substituent being an optionally substituted bridged alicyclic group, an optionally substituted aryl radical or an optionally substituted heterocyclic radical; or a halophenyl radical; or an optionally substituted heterocyclic radical. 'The present invention also provides processes for the preparation of these compounds and pharmaceutical composition containing them. Furthermore, the present invention is concerned with a method of treating cancer which comprises administering these compounds to mammals suffering from cancer.

  本发明提供通式为：- 的化合物。 其中 R 是任选取代的桥式脂环基或取代的低级烷基，取代基是任选取代的桥式脂环基、氨基、保护氨基、低级烷氧基、酰基、低级烷硫基、氰基（低级）烷硫基、芳硫基或任选取代的杂环基或羧基和酯化羧基，但条件是当取代基是羧基或酯化羧基时，低级烷基含有 3 至 6 个碳原子；或未取代或取代的低级烯基，取代基为任选取代的桥式脂环基、任选取代的芳基或任选取代的杂环基；或卤代苯基；或任选取代的杂环基。 '本发明还提供了制备这些化合物和含有这些化合物的药物组合物的工艺。此外，本发明还涉及一种治疗癌症的方法，该方法包括对患有癌症的哺乳动物施用这些化合物。
• A COMPOSITE AEROGEL AND PREPARATION METHOD AND APPLICATION THEREOF
  申请人：Covestro Deutschland AG

  公开号：EP3470369A1

  公开（公告）日：2019-04-17

  The present invention relates to a polyurethane-silicon-based composite aerogel and preparation method and application thereof, as well as a thermal insulation material comprising the same. The composite aerogel is obtained by reacting a system comprising the following components: an isocyanate; a compound containing an isocyanate reactive group; an amino silane coupling agent; an optional silicon compound capable of forming silicon skeletons and different from the amino silane coupling agent; an organic solvent; and water; the content of silicon groups present in the composite aerogel is no more than 30 wt%, based on that the weight of the composite aerogel is 100 wt%. The composite aerogel of the present invention has advantages of low thermal conductivity and good mechanical strength.

  本发明涉及一种聚氨酯-硅基复合气凝胶及其制备方法和应用，以及由其构成的隔热材料。该复合气凝胶由以下组分组成的体系反应得到：异氰酸酯；含有异氰酸酯活性基团的化合物；氨基硅烷偶联剂；可选的能形成硅骨架且不同于氨基硅烷偶联剂的硅化合物；有机溶剂；水；以复合气凝胶的重量为 100 wt%为基准，复合气凝胶中硅基团的含量不超过 30 wt%。本发明的复合气凝胶具有导热系数低、机械强度高的优点。
• METHOD FOR PRODUCING RESIN FOR OPTICAL MEMBER, RESIN FOR OPTICAL MEMBER, EYEGLASS LENS AND EYEGLASS
  申请人：Hoya Lens Thailand Ltd.

  公开号：EP3689934A1

  公开（公告）日：2020-08-05

  An embodiment of the present disclosure relates to a method for producing an optical component resin, suppressing yellowing due to addition of an ultraviolet absorber, an optical component resin, a spectacle lens, and spectacles. A method for producing an optical component resin, including a step of polymerizing a polymerizable composition containing a polythiol component, a polyisocyanate component, and an ultraviolet absorber, in which the ultraviolet absorber has a Hazen color number (APHA) of 40 or less in a toluene solution thereof having a concentration of 10% by mass, an optical component resin obtained by the producing method, an optical component formed of the optical component resin, a spectacle lens including a lens substrate formed of the optical component resin, and spectacles including the spectacle lens.

  本公开的一个实施例涉及一种生产光学成分树脂、抑制因添加紫外线吸收剂而黄变的方法、光学成分树脂、眼镜片和眼镜。 一种生产光学元件树脂的方法，包括聚合含有聚硫醇成分、聚异氰酸酯成分和紫外线吸收剂的可聚合组合物的步骤，其中紫外线吸收剂在其质量浓度为 10%的甲苯溶液中的哈森色数（APHA）为 40 或以下；通过该生产方法获得的光学元件树脂；由该光学元件树脂形成的光学元件；包括由该光学元件树脂形成的镜片基板的眼镜片；以及包括该眼镜片的眼镜。
• METHOD FOR MANUFACTURING OPTICAL MEMBER RESIN, OPTICAL MEMBER RESIN, SPECTACLE LENS, AND SPECTACLES
  申请人：Hoya Lens Thailand Ltd.

  公开号：EP3689933A1

  公开（公告）日：2020-08-05

  An embodiment of the present disclosure relates to a method for producing an optical component resin, suppressing generation of a foreign matter and occurrence of white turbidity, an optical component resin, a spectacle lens, and spectacles. A method for producing an optical component resin, including: a step of mixing a polythiol component, a polyisocyanate component, and an additive to obtain a polymerizable composition; and a step of polymerizing the polymerizable composition, in which the total moisture content of the additive before mixing is 1.0 ppm by mass or more and 10 ppm by mass or less with respect to the amount of the polyisocyanate component, an optical component resin obtained by the producing method, an optical component formed of the optical component resin, a spectacle lens including a lens substrate formed of the optical component resin, and spectacles including the spectacle lens.

  本公开的一个实施例涉及一种生产光学元件树脂、抑制异物生成和白浊发生的方法、光学元件树脂、眼镜片和眼镜。 一种生产光学元件树脂的方法，包括：混合聚硫醇组分、聚异氰酸酯组分和添加剂以获得可聚合组合物的步骤；以及聚合可聚合组合物的步骤，其中添加剂在混合前的总含水量为 1.0ppm（质量分数）或更高，且相对于多异氰酸酯组分的量为10ppm（质量分数）或更低；通过该生产方法获得光学组分树脂；由光学组分树脂形成的光学元件；包括由光学组分树脂形成的镜片基板的眼镜片；以及包括该眼镜片的眼镜。
• POLYMERIZABLE COMPOSITION FOR OPTICAL MEMBERS
  申请人：Hoya Lens Thailand Ltd.

  公开号：EP3858883A1

  公开（公告）日：2021-08-04

  [1] A polymerizable composition for an optical component, including a polyisocyanate component, a polythiol component, and a compound represented by formula (1) in an amount of 5 ppm by mass or more and 10,000 ppm by mass or less with respect to the total amount of the polyisocyanate component and the polythiol component, [2] an optical component resin that is a polymerized product of the polymerizable composition according to the above-described [1], [3] a spectacle lens including a lens substrate that is formed of the optical component resin according to the above-described [2], and [4] spectacles including the spectacle lens according to the above-described [3].

  [1] 一种光学部件用可聚合组合物，包括多异氰酸酯组分、聚硫醇组分和式(1)表示的化合物， 其相对于多异氰酸酯组分和聚硫醇组分的总量的质量分数为 5ppm 或以上且质量分数为 10,000ppm 或以下、[2]光学部件树脂，它是根据上述[1]的可聚合组合物的聚合产物；[3]眼镜片，包括由根据上述[2]的光学部件树脂形成的镜片基板；以及[4]眼镜，包括根据上述[3]的眼镜片。