1,3-benzoxathiole-2-thione | 4991-67-7

• 分子结构分类: 有机化合物 - 苯类化合物
• 英文名称: 1,3-benzoxathiole-2-thione
• 英文别名: benzoxathiole-2-thione；benz[1,3]oxathiol-2-thione；Benz[1,3]oxathiol-2-thion；Benzo[1,3]oxathiol-2-thion
• CAS: 4991-67-7
• 化学式: C₇H₄OS₂
• mdl: MFCD18450483
• 分子量: 168.24
• InChiKey: LHKFTIXYEYLNDM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  66.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1,3-benzoxathiole-2-thione 在 二异丁基氢化铝 作用下， 以 甲苯 为溶剂， 以71%的产率得到2-羟基苯硫酚
  参考文献：
  名称：

  Jordis, Ulrich, Journal of Chemical Research, Miniprint, 1986, # 11, p. 3401 - 3413

  摘要：

  DOI：
• 作为产物：
  描述：

  2-羟基苯硫酚 在 吡啶 、 sodium hydrogensulfide 作用下， 以 二氯甲烷 为溶剂， 反应 11.0h， 生成 1,3-benzoxathiole-2-thione
  参考文献：
  名称：

  Copeland, Christopher; Stick, Robert V., Australian Journal of Chemistry, 1984, vol. 37, # 7, p. 1483 - 1487

  摘要：

  DOI：

文献信息

• Reactions of Benzyne with 1,3-Benzodithiole-2-thione and Related Compounds: Formation of Novel Tetracyclic Sulfonium Salts and Their Reactions Leading to Dibenzo-1,3,6,-trithiocin Derivatives
  作者：Juzo Nakayama、Atsuko Kimata、Hideki Taniguchi、Fumihiko Takahashi

  DOI：10.1246/bcsj.69.2349

  日期：1996.8

  chloride (7), in good yield when benzyne was generated by the thermolysis of 2-carboxybenzenediazonium chloride (4). The reaction of ethylene trithiocarbonate with excess 4 provided a convenient one-pot synthesis of 7 in large quantities. The reduction of 7 with NaBH4 gave a novel ring compound, dibenzo[d,g][1,3,6]trithiocin (15), in 95% yield, while alkaline hydrolysis produced the 12-oxide derivative of

  通过 1,3-苯并二硫醇-2-硫酮 (5) 与苄的 1,3-偶极环加成反应生成的硫叶立德中间体被氯化氢成功捕获，得到新型四环锍盐 9aH-9,10- dithia-4b-thioniaindeno[1,2-a] 茚氯化物 (7)，当通过 2-羧基苯重氮氯化物 (4) 热解生成苯时，产率良好。三硫代碳酸亚乙酯与过量 4 的反应提供了方便的一锅法大量合成 7。7 用 NaBH4 还原得到一种新的环化合物二苯并[d,g][1,3,6]三硫辛 (15)，产率为 95%，而碱水解产生 15 的 12-氧化物衍生物。 7 与 t-BuOK 以 84% 的产率得到 6,6'-双(二苯并[d,g][1,3,6]三亚硫基)。还描述了苄与 5 的相关化合物的反应。
• Siloxane derivatives of 1,3-oxathiolane-2-thiones, their preparation and use thereof
  申请人：Henkel Kommanditgesellschaft auf Aktien

  公开号：EP1506976A1

  公开（公告）日：2005-02-16

  The present invention relates to 1,3-oxathiolane-2-thione compounds of the general formula (I): wherein R1 and R2 are the same or different, each of which denotes a straight-chain or branched alkoxy residue with 1 to 6 carbon atoms or an aryloxy or aralkyloxy residue, R3 is different or the same as R1 or R2 or an aliphatic residue, an amino residue, a halogen residue, an aromatic or heteroaromatic residue, or an araliphatic or heteroaraliphatic residue, R4 is a bridging group selected from the groups consisting of aliphatic, heteroaliphatic, araliphatic, heteroaraliphatic, aromatic and heteroaromatic groups and R5 is hydrogen, an aliphatic, heteroaliphatic, araliphatic, heteroaraliphatic, aromatic, heteroaromatic, cycloaliphatic or heterocycloaliphatic group or R4 and R5 form a cycloaliphatic, cycloheteroaliphatic, aromatic or heteroaromatic residue, which is optionally substituted with an aliphatic, heteroaliphatic residue serving as a bridging group to the silicone atom and X and Y are different and selected from oxygen and sulfur and mixtures of such compounds. A further objective is to provide a method of production of such compounds, compounds synthesized from the 1,3-oxathiolane-2-thiones and their use in a variety of coating and bonding applications.

  本发明涉及一般式(I)的1,3-噁硫烷-2-硫酮化合物，其中R1和R2相同或不同，分别表示具有1至6个碳原子的直链或支链烷氧基残基或芳氧基或芳基烷氧基残基，R3与R1或R2不同或相同，或者是一个脂肪基、氨基基、卤素基、芳香或杂芳基、或芳基烷基或杂芳基烷基残基，R4是从脂肪基、杂脂肪基、芳基烷基、杂芳基烷基、芳香基和杂芳基组成的桥接基团，R5是氢、脂肪基、杂脂肪基、芳基烷基、杂芳基烷基、芳香基、杂芳基、环状脂肪基或环状杂脂肪基，或R4和R5形成环状脂肪环、环状杂脂肪环、芳香环或杂芳环残基，该残基可以选择性地用作桥接到硅原子的脂肪基、杂脂肪基残基，X和Y不同且选自氧和硫和这些化合物的混合物。另一个目标是提供制备这种化合物的方法，以及从1,3-噁硫烷-2-硫酮合成的化合物在各种涂料和粘接应用中的使用。
• REMEDIES OR PREVENTIVES FOR LIVER DISEASES CONTAINING DIAMINOTRIFLUOROMETHYLPYRIDINE DERIVATIVES
  申请人：ISHIHARA SANGYO KAISHA, LTD.

  公开号：EP1252891A1

  公开（公告）日：2002-10-30

  A therapeutic or preventive agent for liver diseases, containing as an active ingredient a diaminotrifluoromethylpyridine derivative represented by the formula (I) or its salt: wherein X is a -CW1R1 group, a -COCOR2 group, a -CW1NHCOR2 group, a -C(=W1)W2R3 group or a -CW1N(R4)R5 group; Y is an alkyl group, a -CW3R6 group, a -COCOR7 group, a -NHCOR7 group, a -C(=W3)W4R8 group, a -(NH)mSO2R9 group, a -(NH)mSO2OR10 group or a -(NH)mSO2N(R11)R12 group; each of R1, R6 and R9 is a chain hydrocarbon group, a monocyclic hydrocarbon group, a polycyclic hydrocarbon group, a monocyclic heterocycle group or a polycyclic heterocycle group; each of R2 and R7 is an alkyl group, an alkoxy group, a phenyl group or a phenoxy group; each of R3, R8 and R10 is an alkyl group, an alkenyl group, an alkynyl group, a cycloalkyl group, a phenyl group or a benzyl group; each of R4, R5, R11 and R12 is an alkyl group; each of W1, W2, W3 and W4 is an oxygen atom or a sulfur atom; . and m is 0 or 1, is provided.

  一种治疗或预防肝病的药物，其有效成分含有由式(I)或其盐代表的二氨基三氟甲基吡啶衍生物： 其中 X 是-CW1R1 基团、-COCOR2 基团、-CW1NHCOR2 基团、-C(=W1)W2R3 基团或-CW1N(R4)R5 基团；Y 是烷基、-CW3R6 基团、-COCOR7 基团、-NHCOR7 基团、-C(=W3)W4R8 基团、-(NH)mSO2R9 基团、-(NH)mSO2OR10 基团或-(NH)mSO2N(R11)R12 基团；R1、R6 和 R9 中的每一个是链烃基团、单环烃基团、多环烃基团、单环杂环基团或多环杂 环基团；R2和R7各自为烷基、烷氧基、苯基或苯氧基； R3、R8和R10各自为烷基、烯基、炔基、环烷基、苯基或苄基； R4、R5、R11和R12各自为烷基； W1、W2、W3和W4各自为氧原子或硫原子； .和 m 为 0 或 1。
• Remedies or preventives for liver diseases containing diaminotrifluoromethylpyridine derivatives
  申请人：——

  公开号：US20030018054A1

  公开（公告）日：2003-01-23

  A therapeutic or preventive agent for liver diseases, containing as an active ingredient a diaminotrifluoromethylpyridine derivative represented by the formula (I) or its salt: 1 wherein X is a —CW 1 R 1 group, a —COCOR 2 group, a —CW 1 NHCOR 2 group, a —C(═W 1 )W 2 R 3 group or a —CW 1 N(R 4 )R 5 group; Y is an alkyl group, a —CW 3 R 6 group, a —COCOR 7 group, a —NHCOR 7 group, a —C(═W 3 )W 4 R 8 group, a —(NH) m SO 2 R 9 group, a —(NH) m SO 2 OR 10 group or a —(NH) m SO 2 N(R 11 )R 12 group; each of R 1 , R 6 and R 9 is a chain hydrocarbon group, a monocyclic hydrocarbon group, a polycyclic hydrocarbon group, a monocyclic heterocycle group or a polycyclic heterocycle group; each of R 2 and R 7 is an alkyl group, an alkoxy group, a phenyl group or a phenoxy group; each of R 3 , R 8 and R 10 is an alkyl group, an alkenyl group, an alkynyl group, a cycloalkyl group, a phenyl group or a benzyl group; each of R 4 , R 5 , R 11 and R 12 is an alkyl group; each of W 1 , W 2 , W 3 and W 4 is an oxygen atom or a sulfur atom; and m is 0 or 1, is provided.

  一种治疗或预防肝脏疾病的药物，其活性成分为式 (I) 所代表的二氨基三氟甲基吡啶衍生物或其盐： 1 其中 X 是 -CW 1 R 1 基团 2 基团、一个 -CW 1 NHCOR 2 基团，一个 -C(═W 1 )W 2 R 3 基团或-CW 1 N(R 4 )R 5 基团；Y 是烷基、-CW 3 R 6 基团、一个 -COCOR 7 基团、一个 -NHCOR 7 基团、一个 -C(═W 3 )W 4 R 8 基团，一个-(NH) m SO 2 R 9 基团，一个-(NH) m SO 2 或 10 基团或-(NH) m SO 2 N(R 11 )R 12 基团；每个 R 1 , R 6 和 R 9 是链烃基团、单环烃基团、多环烃基团、单环杂环基团或多环杂 环基团；R 2 和 R 7 是烷基、烷氧基、苯基或苯氧基；R 3 , R 8 和 R 10 是烷基、烯基、炔基、环烷基、苯基或苄基；每个 R 4 , R 5 , R 11 和 R 12 是烷基 1 , W 2 , W 3 和 W 4 为氧原子或硫原子；m 为 0 或 1。
• 309. Benz-1 : 3-oxathioles, benz-1 : 4-oxathien, and αω-bisarylthioalkanes
  作者：Douglas Greenwood、Herbert A. Stevenson

  DOI：10.1039/jr9530001514

  日期：——