3-p-toluenesulfonylpropanal ethylene acetal | 63305-66-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3-p-toluenesulfonylpropanal ethylene acetal
• 英文别名: 2-[2-(toluene-4-sulfonyl)-ethyl]-[1,3]dioxolane；2-[2-(4-methylphenylsulphonyl)ethyl ]-1,3-dioxolane；2-[2-(4-Methylphenylsulphonyl)ethyl]-1,3-dioxolane；3-(4-toluenesulphonyl)propanal ethylene acetal；3-Tosylpropanal-ethylenacetal；2-[2-(4-Methylbenzene-1-sulfonyl)ethyl]-1,3-dioxolane；2-[2-(4-methylphenyl)sulfonylethyl]-1,3-dioxolane
• CAS: 63305-66-8
• 化学式: C₁₂H₁₆O₄S
• 分子量: 256.323
• InChiKey: QCMPHZDBSUAAON-UHFFFAOYSA-N

物化性质

• 熔点：
  83.5-84.0 °C(Solv: water (7732-18-5); isopropanol (67-63-0))
• 沸点：
  426.4±45.0 °C(Predicted)
• 密度：
  1?+-.0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  61
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-p-toluenesulfonylpropanal ethylene acetal 在 对甲苯磺酸 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 、 苯 为溶剂， 生成 2-(p-tolylsulfonyl)naphthalene
  参考文献：
  名称：

  通过Friedel-Crafts酰化反应合成取代萘的新途径

  摘要：

  通过用催化量的对甲苯磺酸处理4-芳基-4-羟基-3-对甲苯磺酰基丁醛乙烯缩醛（6a – e），可以实现合成取代萘衍生物的新方法。

  DOI：

  10.1016/s0040-4039(00)00145-3
• 作为产物：
  描述：

  2-(2-溴乙基)-1,3-二恶烷 、 sodium p-toluenesulfinate tetrahydrate 在 ammonium hydroxide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以66%的产率得到3-p-toluenesulfonylpropanal ethylene acetal
  参考文献：
  名称：

  Certain 1-azabicyclo[2.2.1]heptanes and 1-azabicyclo[2.2.2]octanes

  摘要：

  描述了化合物(I)的新颖化合物、其制备方法以及作为药物代理的用途：##STR1## 其中p代表2到4的整数；r代表1或2的整数；s代表0或1；X代表一个基团##STR2## 其中A.sub.1是氧或硫，A.sub.2和A.sub.3中的一个是CR.sub.1，另一个是氮或CR.sub.2，或者A.sub.2是氧或硫，A.sub.1是CH，A.sub.3是CR.sub.1，其中R.sub.1和R.sub.2分别独立选择自氢和C.sub.1-2烷基，但当r为2时，R.sub.1和R.sub.2为氢或甲基。本发明的新化合物可用于治疗或预防哺乳动物的痴呆症。

  公开号：

  US05541194A1

文献信息

• Halogenation of Alkyl<i>p</i>-Tolyl Sulfones with Carbon Tetrahalides. Application to the Synthesis of Aromatic Ketones
  作者：Hiroshi Kotake、Katsuhiko Inomata、Hideki Kinoshita、Yasuko Sakamoto、Yoko Kaneto

  DOI：10.1246/bcsj.53.3027

  日期：1980.10

  Carbanions of alkyl p-tolyL sulfones reacted with carbon tetrahalides to give the corresponding polyhalogenated products in good yields. Some chlorinated sulfones were converted to unsymmetrical ketones by treatment with silver perchlorate in trifluoroacetic acid.

  烷基对甲苯基砜的碳负离子与四卤化碳反应，以良好的产率得到相应的多卤化产物。通过在三氟乙酸中用高氯酸银处理，一些氯化砜转化为不对称酮。
• Certain 5-substituted-1-aza-bicyclo[3.3.3]heptanes and their
  申请人：Beecham Group p.l.c.

  公开号：US05043343A1

  公开（公告）日：1991-08-27

  A compound of formula (I) or a pharmaceutically acceptable salt thereof: ##STR1## in which Z is a heterocyclic group ##STR2## in which Q represents a 3-membered divalent residue completing a 5-membered aromatic ring and comprises one or two heteroatoms selected from oxygen, nitrogen and sulphur, or three nitrogen atoms, any amino nitrogen being substituted by a C.sub.1-2 alkyl, cyclopropyl or propargyl group, and any ring carbon atom being optionally substituted by a group R.sub.1 ; or a group ##STR3## in which A.sub.1, A.sub.2 and A.sub.3 complete a 5-membered aromatic ring and A.sub.1 is oxygen or sulphur, one of A.sub.2 and A.sub.3 is CR.sub.2 and the other is nitrogen or CR.sub.3, or A.sub.2 is oxygen or sulphur, one of A.sub.1 and A.sub.3 is CR.sub.2 and the other is CR.sub.3 ; and R.sub.1, R.sub.2 and R.sub.3 are independently selected from hydrogen, halogen, CN, OR.sub.4, SR.sub.4, N(R.sub.4).sub.2, NHCOR.sub.4, NHCOOCH.sub.3, NHCOOC.sub.2 H.sub.5, NHOR.sub.4, NHNH.sub.2, NO.sub.2, COR.sub.4, COR.sub.5, cyclopropyl, C.sub.2-5 straight chain alkenyl, C.sub.2-5 straight chain alkynyl or C.sub.1-5 straight chain alkyl optionally terminally substituted with OR.sub.4, N(R.sub.4).sub.2, SR.sub.4, CO.sub.2 R.sub.4, CON(R.sub.4).sub.2 or one, two or three halogen atoms, in which each R.sub.4 is independently hydrogen or C.sub.1-3 alkyl and R.sub.5 is OR.sub.4, NH.sub.2 or NHR.sub.4 ; or in which Z is a group --C(R.sub.7).dbd.NR.sub.6 in which R.sub.6 is a group OR.sub.8, where R.sub.8 is C.sub.1-4 alkyl, C.sub.2-4 alkenyl, C.sub.2-4 alkynyl, a group OCOR.sub.9 where R.sub.9 is hydrogen or R.sub.8, or a group NHR.sub.10 or NR.sub.11 R.sub.12 where R.sub.10, R.sub.11 and R.sub.12 are independently C.sub.1-2 alkyl and R.sub.7 is hydrogen or C.sub.1-4 alkyl, subject to the proviso that when R.sub.6 is a group OCOR.sub.9 or NHR.sub.10, R.sub.7 is C.sub.1-4 alkyl.

  化合物式(I)或其药学上可接受的盐：##STR1## 其中Z是杂环基团##STR2## 其中Q表示完成5-成员芳香环的3-成员双价残基，并包括从氧、氮和硫中选择的一个或两个杂原子，或三个氮原子，任何氨基氮被C.sub.1-2烷基，环丙基或丙炔基取代，任何环碳原子可被R.sub.1基团取代;或者是一个群##STR3## 其中A.sub.1、A.sub.2和A.sub.3完成一个5-成员芳香环，A.sub.1是氧或硫，A.sub.2和A.sub.3中的一个是CR.sub.2，另一个是氮或CR.sub.3，或者是A.sub.2是氧或硫，A.sub.1和A.sub.3中的一个是CR.sub.2，另一个是CR.sub.3;R.sub.1、R.sub.2和R.sub.3独立选择自氢、卤素、CN、OR.sub.4、SR.sub.4、N（R.sub.4）.sub.2、NHCOR.sub.4、NHCOOCH.sub.3、NHCOOC.sub.2 H.sub.5、NHOR.sub.4、NHNH.sub.2、NO.sub.2、COR.sub.4、COR.sub.5、环丙基、C.sub.2-5直链烯基、C.sub.2-5直链炔基或C.sub.1-5直链烷基，可选地末端取代OR.sub.4、N（R.sub.4）.sub.2、SR.sub.4、CO.sub.2 R.sub.4、CON（R.sub.4）.sub.2或一、二或三个卤素原子，其中每个R.sub.4独立地为氢或C.sub.1-3烷基，R.sub.5为OR.sub.4、NH.sub.2或NHR.sub.4;或者Z是一个群--C（R.sub.7）.dbd.NR.sub.6，其中R.sub.6是一个OR.sub.8群，其中R.sub.8是C.sub.1-4烷基，C.sub.2-4烯基，C.sub.2-4炔基，OCOR.sub.9群，其中R.sub.9是氢或R.sub.8，或NHR.sub.10或NR.sub.11R.sub.12群，其中R.sub.10、R.sub.11和R.sub.12独立地为C.sub.1-2烷基，R.sub.7为氢或C.sub.1-4烷基，但当R.sub.6是OCOR.sub.9或NHR.sub.10时，R.sub.7为C.sub.1-4烷基。
• Novel compounds
  申请人：Beecham Group plc

  公开号：US04971975A1

  公开（公告）日：1990-11-20

  A compound of formula (I) or a pharmaceutically acceptable salt thereof: ##STR1## in which X represents R.sub.1 OOC-- in which R.sub.1 is C.sub.1-4 alkyl, C.sub.2-4 alkenyl or C.sub.2-4 alkynyl; R.sub.2 O-- in which R.sub.2 is C.sub.1-2 alkyl, C.sub.1-2 alkylcarbonyl or aminocarbonyl optionally substituted by one or two methyl groups; a group ##STR2## in which Y represents a 3-membered divalent residue completing a 5-membered aromatic ring and comprises one or two heteroatoms selected from oxygen, nitrogen and sulphur, any amino nitrogen optionally substituted by a C.sub.1-2 alkyl group, Y being optionally C-substituted by a methyl group; or a group ##STR3## in which A.sub.1 is oxygen or sulphur, one of A.sub.2 and A.sub.3 is CR.sub.3 and the other is nitrogen or CR.sub.4 where R.sub.3 and R.sub.4 are independently selected from hydrogen and methyl; and each of p and q independently represents an integer of 2 to 4.

  公式（I）的化合物或其药学上可接受的盐：##STR1## 其中X代表R.sub.1 OOC-，其中R.sub.1是C.sub.1-4烷基，C.sub.2-4烯基或C.sub.2-4炔基；R.sub.2 O-，其中R.sub.2是C.sub.1-2烷基，C.sub.1-2烷基羰基或氨基羰基，可选地被一个或两个甲基基团取代；一个基团##STR2## 其中Y代表3-成员双价残基，完成5-成员芳环并包括氧、氮和硫中选择的一个或两个杂原子，任意氨基氮可选择地被C.sub.1-2烷基基团取代，Y可选地被甲基基团取代；或一个基团##STR3## 其中A.sub.1是氧或硫，A.sub.2和A.sub.3中的一个是CR.sub.3，另一个是氮或CR.sub.4，其中R.sub.3和R.sub.4独立选择自氢和甲基；每个p和q独立地表示2到4的整数。
• Heterocyclic azabicyclic compounds for enhancing acetylcholine function
  申请人：Beecham Group p.l.c.

  公开号：US05132316A1

  公开（公告）日：1992-07-21

  A compound of formula (I) or a pharmaceutically acceptable salt thereof: ##STR1## in which X represents R.sub.1 OOC-- in which R.sub.1 is C.sub.1-4 alkyl, C.sub.2-4 alkenyl or C.sub.2-4 alkynyl; R.sub.2 O-- in which R.sub.2 is C.sub.1-2 alkyl, C.sub.1 -2 alkylcarbonyl or aminocarbonyl optionally substituted by one or two methyl groups; a group ##STR2## in which Y represents a 3-membered divalent residue completing a 5-membered aromatic ring and comprises one or two heteroatoms selected from oxygen, nitrogen and sulphur, any amino nitrogen optionally substituted by a C.sub.1-2 alkyl group, Y being optionally C-substituted by a methyl group; or a group ##STR3## in which A.sub.1 is oxygen or sulphur, one of A.sub.2 and A.sub.3 is CR.sub.3 and the other is nitrogen or CR.sub.4 where R.sub.3 and R.sub.4 are independently selected from hydrogen and methyl; and each of p and q independently represents an integer of 2 to 4.

  化合物的化学式（I）或其药学上可接受的盐：##STR1## 其中X代表R.sub.1 OOC--，其中R.sub.1是C.sub.1-4烷基，C.sub.2-4烯基或C.sub.2-4炔基; R.sub.2 O--，其中R.sub.2是C.sub.1-2烷基，C.sub.1-2烷基羰基或氨基羰基，可选择地被一个或两个甲基基团取代的氨基; 一个基团##STR2## 其中Y代表一个3元二价残基，完成一个5元芳香环，并包含来自氧，氮和硫的一个或两个杂原子，任何氨基氮可选择地被C.sub.1-2烷基基团取代，Y可选择地被甲基基团取代; 或一个基团##STR3## 其中A.sub.1是氧或硫，A.sub.2和A.sub.3中的一个是CR.sub.3，另一个是氮或CR.sub.4，其中R.sub.3和R.sub.4独立地选择自氢和甲基; p和q各自独立地表示2到4的整数。
• Azabicyclic compounds, process for their preparation and pharmaceutical compositions containing them
  申请人：BEECHAM GROUP PLC

  公开号：EP0322182A2

  公开（公告）日：1989-06-28

  Novel compounds of formula (I), processes for their preparation, and their use as pharmaceutical agents are described: in which p represents an integer of 2 to 4; r represents an integer of 1 or 2; s represents 0 or 1; and X represents a group in which A₁ is oxygen or sulphur, one of A₂ and A₃ is CR₁ and the other is nitrogen or CR₂, or A₂ is oxygen or sulphur, A₁ is CH and A₃ is CR₁, where R₁ and R₂ are independently selected from hydrogen and C₁₋₂ alkyl, with the proviso that when r is 2, R₁ and R₂ are hydrogen or methyl.

  本发明描述了式 (I) 的新型化合物、其制备工艺及其作为药物制剂的用途： 其中 p 代表 2 至 4 的整数；r 代表 1 或 2 的整数；s 代表 0 或 1；X 代表一个基团 其中 A₁ 是氧或硫，A₂ 和 A₃ 中的一个是 CR₁，另一个是氮或 CR₂，或 A₂ 是氧或硫，A₁ 是 CH，A₃ 是 CR₁、其中 R₁ 和 R₂ 独立选自氢和 C₁₋₂ 烷基，但当 r 为 2 时，R₁ 和 R₂ 为氢或甲基。