3-bromo-6-methylthiochroman-4-one | 67580-56-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 硫铬烷
• 英文名称: 3-bromo-6-methylthiochroman-4-one
• 英文别名: 3-bromo-6-methyl-thiochroman-4-one；3-Brom-6-methyl-thiochroman-4-on；3-Bromo-6-methyl-2,3-dihydro-4H-1-benzothiopyran-4-one；3-bromo-6-methyl-2,3-dihydrothiochromen-4-one
• CAS: 67580-56-7
• 化学式: C₁₀H₉BrOS
• 分子量: 257.151
• InChiKey: DJLBEOSUNIELBG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  42.4
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-bromo-6-methylthiochroman-4-one 在 溴 作用下， 以 溶剂黄146 为溶剂， 以88%的产率得到3,3'-Bi(3-brom-6-methyl-1-thiochromanon)
  参考文献：
  名称：

  1,2-双苯并噻吩基乙烷 aus 1-Thiochromononen

  摘要：

  Bei dem in der Literatur beschriebenen Verfahren zur Synthese von 3,3-Bithiochromonen 4a und 4b aus den 3-Brom-thiochromononen 1a und 1b2) entstehen die Bis-benzothiophenyliden-ethane 9a und 9b。

  DOI：

  10.1002/ardp.19803130406
• 作为产物：
  描述：

  6-甲基硫代苯并二氢吡喃-4-酮 在 溴 、 溶剂黄146 作用下， 反应 4.17h， 以88%的产率得到3-bromo-6-methylthiochroman-4-one
  参考文献：
  名称：

  新型抗癌药α，β-环氧酮的设计与合成

  摘要：

  由于环氧官能团具有较高的抗癌活性，因此设计并合成了α，β-环氧酮作为新型抗癌剂，并通过UV，1 H NMR，IR，MS技术和元素分析确定了它们的结构。用MTT法评估了它们的体外抗癌活性，结果表明化合物4c对A-549，Hela和HepG2细胞的IC 50表现出良好的活性，IC 50分别为17.8、22.0和24.1 µg / mL。通过胃内给药的小鼠的LD50剂量为1864.4mg / kg。因此，α，β-环氧酮可能会提供新的抗癌药。

  DOI：

  10.1002/cjoc.201190153

文献信息

• ACTINIC RADIATION-CURING TYPE INK SET, INKJET RECORDING METHOD, AND PRINTED MATERIAL
  申请人：FUJIFILM CORPORATION

  公开号：US20130230701A1

  公开（公告）日：2013-09-05

  Disclosed is an actinic radiation-curing type ink set comprising a colored ink composition and a clear ink composition (C1), the colored ink composition comprising (Component A1) a radically polymerizable compound, (Component B1) a polymerization initiator, and (Component D) a colorant, and the clear ink composition (C1) comprising (Component A2) a radically polymerizable compound, (Component B2) a polymerization initiator, and (Component S) an organic solvent.

  公开了一种光致固化型油墨套装，包括一种有色油墨组合和一种清晰油墨组合（C1），其中有色油墨组合包括（成分A1）一种自由基聚合物化合物，（成分B1）一种聚合引发剂和（成分D）一种着色剂，而清晰油墨组合（C1）包括（成分A2）一种自由基聚合物化合物，（成分B2）一种聚合引发剂和（成分S）一种有机溶剂。
• Ink composition and inkjet recording method using the same
  申请人：FUJIFILM Corporation

  公开号：EP1944173A1

  公开（公告）日：2008-07-16

  An ink composition of the present invention is disclosed, which contains (i) a sensitizing dye represented by the following Formula (I); (ii) at least one polymerization initiator selected from the group consisting of α-aminoketones and acyl phosphine oxides; and (iii) an ethylenically unsaturated bond-containing polymerizable compound. In Formula (I), X represents O, S or NR; n represents an integer of 0 or 1; R represents a hydrogen atom, an alkyl group or an acyl group; R1 to R8 each independently represent a hydrogen atom or a monovalent substituent; R1 and R2, R2 and R3, and R3 and R4 may be connected to each other to form a ring; and R5 or R6 may be connected to R7 or R8 to form an aliphatic ring but not to form an aromatic ring.

  本发明公开了一种油墨组合物，它含有(i)由下式(I)表示的敏化染料；(ii)至少一种聚合引发剂，该引发剂选自α-氨基酮和酰基膦氧化物组成的组；和(iii)含乙烯不饱和键的可聚合化合物。在式(I)中，X 代表 O、S 或 NR；n 代表 0 或 1 的整数；R 代表氢原子、烷基或酰基；R1 至 R8 各自独立地代表氢原子或一价取代基；R1 和 R2、R2 和 R3 以及 R3 和 R4 可相互连接以形成环；R5 或 R6 可与 R7 或 R8 连接以形成脂肪族环，但不能形成芳香族环。
• Ink set for inkjet recording and inkjet recording method
  申请人：FUJIFILM Corporation

  公开号：EP1975210A1

  公开（公告）日：2008-10-01

  An ink set for inkjet recording is provided that includes at least a colored liquid comprising at least a radically polymerizable compound, a photopolymerization initiator, and a colorant and an undercoat liquid comprising at least a radically polymerizable compound and a photopolymerization initiator, the undercoat liquid comprising a sensitizer represented by Formula (I) below. In Formula (I) above, X denotes O, S, or NR, n denotes 0 or 1, R denotes a hydrogen atom, an alkyl group, or an acyl group, and R1, R2, R3, R4, R5, R6, R7, and R8 independently denote a hydrogen atom or a monovalent substituent. There is also provided an inkjet recording method employing the ink set for inkjet recording, the method including a step of applying the undercoat liquid on top of a recording medium, a step of semi-curing the undercoat liquid, and a step of carrying out image formation by discharging the colored liquid on top of the semi-cured undercoat liquid.

  提供了一种用于喷墨记录的墨水组，它至少包括一种由至少一种可径向聚合的化合物、一种光聚合引发剂和一种着色剂组成的有色液体，以及一种由至少一种可径向聚合的化合物和一种光聚合引发剂组成的底层液体，底层液体包括由下式（I）代表的敏化剂。 在上式（I）中，X 表示 O、S 或 NR，n 表示 0 或 1，R 表示氢原子、烷基或酰基，R1、R2、R3、R4、R5、R6、R7 和 R8 独立地表示氢原子或单价取代基。还提供了一种喷墨记录方法，该方法采用了用于喷墨记录的墨水组，该方法包括在记录介质上涂敷底层液体的步骤、半固化底层液体的步骤，以及通过在半固化底层液体上排放有色液体来形成图像的步骤。
• Photocurable coating composition, and overprint and process for producing same
  申请人：FUJIFILM Corporation

  公开号：EP2042563A1

  公开（公告）日：2009-04-01

  A photocurable coating composition is provided that includes (A) a compound represented by Formula (I) below, (B) a photopolymerization initiator, and (C) a compound having an ethylenically unsaturated bond. (In Formula (I), X denotes O, S, or NR, n denotes an integer of 0 to 4, R denotes a hydrogen atom, an alkyl group, or an acyl group, R1 to R8 independently denote a hydrogen atom or a monovalent substituent, and R1 to R4 may form a ring in which two thereof that are adjacent are bonded to each other.) There are also provided an overprint having on an electrophotographically printed material an overprint layer in which the photocurable coating composition is photocured, and a process for producing the overprint that includes a step of obtaining an electrophotographically printed material by carrying out electrophotographic printing on a printing substrate, a step of coating the electrophotographically printed material with the photocurable coating composition, and a step of photocuring the photocurable coating composition.

  光固化涂料组合物包括 (A) 下式 (I) 所代表的化合物、(B) 光聚合引发剂和 (C) 具有乙烯不饱和键的化合物。 (在式(I)中，X 表示 O、S 或 NR，n 表示 0 至 4 的整数，R 表示氢原子、烷基或酰基，R1 至 R8 独立地表示氢原子或单价取代基，R1 至 R4 可形成其中相邻的两个相互键合的环)。 还提供了一种罩印，其在电致发光印刷材料上具有罩印层，在罩印层中光固化了光固化涂层组合物，还提供了一种生产罩印的工艺，该工艺包括通过在印刷基底上进行电致发光印刷获得电致发光印刷材料的步骤、在电致发光印刷材料上涂布光固化涂层组合物的步骤，以及对光固化涂层组合物进行光固化的步骤。
• Photocurable composition, photocurable ink composition, process for producing photocured material, and inkjet recording method
  申请人：FUJIFILM Corporation

  公开号：EP2085439A1

  公开（公告）日：2009-08-05

  A photocurable composition is provided that includes a polymerizable compound, a photopolymerization initiator, a compound represented by Formula (I) below, and an amine compound, the photopolymerization initiator comprising an acylphosphine oxide compound and/or an α-aminoacetophenone compound in Formula (I) above, X denotes O, S, or NR, n denotes 0 or 1, R denotes a hydrogen atom, an alkyl group, or an acyl group, R1, R2, R3, R4, R5, R6, R7, and R8 independently denote a hydrogen atom or a monovalent substituent, and two of R1, R2, R3, and R4 that are adjacent may be bonded to each other to form a ring. There are also provided a photocurable ink composition that includes the photocurable composition and a colorant, an ink composition for photocuring inkjet recording that includes the photocurable ink composition, a process for producing a photocured material that includes preparing the photocurable composition and irradiating the photocurable composition with light having a light emission peak in the range of at least 340 nm but no greater than 400 nm, and an inkjet recording method that includes discharging the ink composition onto a recording medium and irradiating the ink composition with actinic radiation.

  提供了一种光固化组合物，该组合物包括可聚合化合物、光聚合引发剂、下式 (I) 所代表的化合物和胺化合物，其中光聚合引发剂包括酰基氧化膦化合物和/或 α-氨基苯乙酮化合物 在上式（I）中，X 表示 O、S 或 NR，n 表示 0 或 1，R 表示氢原子、烷基或酰基，R1、R2、R3、R4、R5、R6、R7 和 R8 独立地表示氢原子或一价取代基，相邻的两个 R1、R2、R3 和 R4 可以相互键合形成环。还提供了一种光固化墨水组合物，它包括该光固化组合物和着色剂；一种用于光固化喷墨记录的墨水组合物，它包括该光固化墨水组合物；一种用于生产光固化材料的工艺，它包括制备该光固化组合物，并用在至少340纳米但不大于400纳米范围内具有光发射峰的光照射该光固化组合物；以及一种喷墨记录方法，它包括将墨水组合物排放到记录介质上，并用阳极辐射照射该墨水组合物。