1-[4-(3-mercaptopropylthio)phenyl]-2-dimethylamino-2-benzyl-propan-1-one | 209127-05-9

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 直链 1,3-二芳基丙烷
• 英文名称: 1-[4-(3-mercaptopropylthio)phenyl]-2-dimethylamino-2-benzyl-propan-1-one
• 英文别名: 2-(dimethylamino)-2-methyl-3-phenyl-1-[4-(3-sulfanylpropylsulfanyl)phenyl]propan-1-one
• CAS: 209127-05-9
• 化学式: C₂₁H₂₇NOS₂
• 分子量: 373.583
• InChiKey: QSMSZPCFJHPSCD-UHFFFAOYSA-N

物化性质

• 沸点：
  527.6±50.0 °C(Predicted)
• 密度：
  1.13±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  25
• 可旋转键数：
  9
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  46.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-[4-(3-mercaptopropylthio)phenyl]-2-dimethylamino-2-benzyl-propan-1-one 、 2-(溴甲基)丙烯酸甲酯 在 potassium carbonate 作用下， 以 甲醇 为溶剂， 反应 0.17h， 生成 2-{3-[4-(2-dimethylamino-2-methyl-3-phenyl-propionyl)-phenylthio]-propylthiomethyl}-acrylic acid methyl ester
  参考文献：
  名称：

  NOVEL PHOTOINITIATORS AND THEIR APPLICATIONS

  摘要：

  公开号：

  EP1177182B1
• 作为产物：
  描述：

  1,3-丙二硫醇 、 2-(二甲氨基)-1-(4-氟苯基)-2-甲基-3-苯基丙烷-1-酮 在 potassium carbonate 作用下， 以 N,N-二甲基乙酰胺 为溶剂， 生成 1-[4-(3-mercaptopropylthio)phenyl]-2-dimethylamino-2-benzyl-propan-1-one
  参考文献：
  名称：

  NOVEL PHOTOINITIATORS AND THEIR APPLICATIONS

  摘要：

  公开号：

  EP1177182B1

文献信息

• Photoinitiators and their applications
  申请人：Ciba Specialty Chemicals Corporation

  公开号：US06673850B1

  公开（公告）日：2004-01-06

  Photoinitiators of formula (Ia) or (Ib) having chain transfer groups, wherein n is 1 or 2; PI is for example a group of formula (IIa); PI′ inter alia is a group of formula (IIIa); Ar is for example phenyl; Ar2 is inter alia phenylene; R1 and R2 are for example C1-C8alkyl, or R1 and R2 together C2-C9alkylene; M1 inter alia is —NR3R4 or —OH; M1′ is for example a group (c); R3′ is a direct bond, C1-C12alkylene, or phenylene; R3 is for example hydrogen, or C1-C12alkyl; R4 is e.g. C1-C12alkyl; A1 and A2 are for example a direct bond; CT is a chain transfer group; are useful for the preparation of macrophotoinitiators which can be employed for preparing block copolymers.

  式(Ia)或(Ib)的光引发剂具有链转移基团，其中n为1或2；PI是例如式(IIa)的基团；PI'是例如式(IIIa)的基团；Ar例如为苯基；Ar2例如为苯基；R1和R2例如为C1-C8烷基，或R1和R2结合为C2-C9亚烷基；M1例如为—NR3R4或—OH；M1'例如为基团(c)；R3'是直接键，C1-C12亚烷基或苯基；R3例如为氢或C1-C12烷基；R4例如为C1-C12烷基；A1和A2例如为直接键；CT为链转移基团。这些光引发剂可用于制备宏观光引发剂，后者可用于制备嵌段共聚物。
• US6673850B1
  申请人：——

  公开号：US6673850B1

  公开（公告）日：2004-01-06
• [EN] NOVEL PHOTOINITIATORS AND THEIR APPLICATIONS<br/>[FR] NOUVEAUX PHOTOAMORCEURS ET LEURS APPLICATIONS
  申请人：CIBA SC HOLDING AG

  公开号：WO2000068218A1

  公开（公告）日：2000-11-16

  Photoinitiators of formula (Ia) or (Ib) having chain transfer groups, wherein n is 1 or 2; PI is for example a group of formula (IIa); PI' inter alia is a group of formula (IIIa); Ar is for example phenyl; Ar2 is inter alia phenylene; R1 and R2 are for example C1-C8alkyl, or R1 and R2 together C2-C9alkylene; M1 inter alia is -NR3R4 or -OH; M1' is for example a group (c); R3' is a direct bond, C1-C12alkylene, or phenylene; R3 is for example hydrogen, or C1-C12alkyl; R4 is e.g. C1-C12alkyl; A1 and A2 are for example a direct bond; CT is a chain transfer group; are useful for the preparation of macrophotoinitiators which can be employed for preparing block copolymers.
• NOVEL PHOTOINITIATORS AND THEIR APPLICATIONS
  申请人：Ciba Specialty Chemicals Holding Inc.

  公开号：EP1177182B1

  公开（公告）日：2006-11-29