(α-Chlor-benzyl)-methyl-sulfid | 18624-87-8

• 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: (α-Chlor-benzyl)-methyl-sulfid
• 英文别名: Methylthiobenzyl chloride；[chloro(methylsulfanyl)methyl]benzene
• CAS: 18624-87-8
• 化学式: C₈H₉ClS
• 分子量: 172.678
• InChiKey: COVIHMADWYEBTP-UHFFFAOYSA-N

物化性质

• 沸点：
  116-117 °C(Press: 15 Torr)
• 密度：
  1.163±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  25.3
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  (α-Chlor-benzyl)-methyl-sulfid 在 单过氧邻苯二甲酸 作用下， 以 乙醚 为溶剂， 生成 甲基硫代磺酸甲酯
  参考文献：
  名称：

  Boehme,H.; Wilke,H.-J., Justus Liebigs Annalen der Chemie, 1978, p. 1123 - 1128

  摘要：

  DOI：
• 作为产物：
  描述：

  苄基甲基硫醚 在 磺酰氯 作用下， 生成 (α-Chlor-benzyl)-methyl-sulfid
  参考文献：
  名称：

  Wolfe,S.; Kazmaier,P.M., Canadian Journal of Chemistry, 1979, vol. 57, p. 2388 - 2396

  摘要：

  DOI：

文献信息

• [EN] C-ARYL GLUCOSIDE SGLT2 INHIBITORS<br/>[FR] INHIBITEURS DE SGLT2 A BASE DE GLUCOSIDE C-ARYLE
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2001027128A1

  公开（公告）日：2001-04-19

  SGLT2 inhibiting compounds are provided having formula (I) where R?1, R2, and R2a¿ are independently hydrogen, OH, OR5, lower alkyl, CF¿3?, OCHF2, OCF3, SR?5i¿ or halogen, or two of R?1, R2 and R2a¿ together with the carbons to which they are attached can form an annelated five, six or seven membered carbocycle or heterocycle; R?3 and R4¿ are independently hydrogen, OH, OR5a, OAryl, OCH¿2?Aryl, lower alkyl, cycloalkyl, CF3, -OCHF2, -OCF3, halogen, -CN, -CO2R?5b, -CO¿2H, -COR6b, -CH(OH)R6c, -CH(OR?5h)R6d, -CONR6R6a¿, -NHCOR5c, -NHSO¿2R?5d, -NHSO¿2?Aryl, Aryl, -SR?5e, -SOR5f, SO¿2R5g, SO2Aryl, or a five, six or seven membered heterocycle, or R?3 and R4¿ together with the carbons to which they are attached form an annelated five, six or seven membered carbocycle or heterocycle; R?5, R5a, R5b, R5c, R5d, R5e, R5f, R5g, R5h, and R5I¿ are independently lower alkyl; R?6, R6a, R6b, R6c and R6d¿ are independently hydrogen, alkyl, aryl, alkylaryl or cycloalkyl, or R?6 and R6a¿ together with the nitrogen to which they are attached form an annelated five, six or seven membered heterocycle; A is O, S, NH, or (CH¿2?)n where n is 0 - 3. A method is also provided for treating diabetes and related diseases employing an SGLT2 inhibiting amount of the above compound alone or in combination with another antidiabetic agent or other therapeutic agent.

  提供具有公式（I）的SGLT2抑制化合物，其中R?1，R2和R2a¿独立地是氢，OH，OR5，低碳基，CF¿3？，OCHF2，OCF3，SR?5i¿或卤素，或者R?1，R2和R2a¿中的两个与它们附着的碳可以形成一个嵌环的五元，六元或七元碳环或杂环；R?3和R4¿独立地是氢，OH，OR5a，OAryl，OCH¿2？Aryl，低碳基，环烷基，CF3，-OCHF2，-OCF3，卤素，-CN，-CO2R?5b，-CO¿2H，-COR6b，-CH（OH）R6c，-CH（OR?5h）R6d，-CONR6R6a¿，-NHCOR5c，-NHSO¿2R?5d，-NHSO¿2？Aryl，芳基，-SR?5e，-SOR5f，SO¿2R5g，SO2Aryl或五元，六元或七元杂环，或R?3和R4¿与它们附着的碳形成一个嵌环的五元，六元或七元碳环或杂环；R?5，R5a，R5b，R5c，R5d，R5e，R5f，R5g，R5h和R5I¿独立地是低碳基；R?6，R6a，R6b，R6c和R6d¿独立地是氢，烷基，芳基，烷基芳基或环烷基，或者R?6和R6a¿与它们附着的氮一起形成一个嵌环的五元，六元或七元杂环；A是O，S，NH或（CH¿2？）n，其中n为0-3。还提供了一种使用上述化合物的SGLT2抑制量单独或与另一种抗糖尿病药物或其他治疗药物组合治疗糖尿病和相关疾病的方法。
• CPCR Agonists
  申请人：Bradly Stuart Edward

  公开号：US20100063081A1

  公开（公告）日：2010-03-11

  Compounds of formula (I): or pharmaceutically acceptable salts thereof, are GPCR agonists and are useful as for the treatment of obesity and diabetes.

  式(I)的化合物或其药学上可接受的盐是GPCR激动剂，可用于治疗肥胖症和糖尿病。
• GPCR Agonists
  申请人：Bradley Stuart Edward

  公开号：US20120172358A1

  公开（公告）日：2012-07-05

  Compounds of formula (I): or pharmaceutically acceptable salts thereof, are GPCR agonists and are useful as for the treatment of obesity and diabetes.

  化合物式（I）或其药学上可接受的盐是GPCR激动剂，可用于治疗肥胖症和糖尿病。
• An optical article exhibiting a high level of second order polarization susceptibility
  申请人：EASTMAN KODAK COMPANY (a New Jersey corporation)

  公开号：EP0313474A2

  公开（公告）日：1989-04-26

  An optical article is disclosed containing, for the transmission of electromagnetic radiation, a medium exhibiting a second order polarization susceptibility greater than 10⁻⁹ electrostatic units comprised of polar aligned noncentrosymmetric molecular dipoles. The molecular dipoles have an electron donor moiety linked through a conjugated π bonding system to an electron acceptor sulfonyl moiety.

  本发明公开了一种用于传输电磁辐射的光学产品，该产品含有一种介质，该介质显示出大于 10-𠞙 的二阶偏振电感，该介质由极性排列的非新月对称分子偶极组成。分子偶极子具有通过共轭 π 键系统与电子受体磺酰基相连的电子供体分子。
• Antibiotic C-3 dithioacetal-substituted carbapenem compounds, compositions, and use thereof
  申请人：Bristol-Myers Squibb Company

  公开号：EP0481511A2

  公开（公告）日：1992-04-22

  A dithioacetal carbapenem of the formula in which R¹is hydrogen or C₁₋₆ alkyl; nis 0, 1 or 2; R³is hydrogen or C₁₋₆ alkyl; R²is    C₁₋₆ alkyl,    phenyl optionally substituted with cyano, -CONH₂, -CH₂OH, -CH₂NH₂, -CONHNH₂ or with up to 5 halogen atoms, C₁₋₆ alkyl or C₁₋₆ alkyloxy groups,    phenylmethyl optionally substituted with up to 5 halogen atoms, C₁₋₆ alkyl or C₁₋₆ alkyloxy groups on the phenyl ring, or    a radical represented by the formula         -(CH₂)p-X in which p is 0 or 1; X is five-membered aromatic heterocyclic ring containing up to 1 sulfur, 1 oxygen or 4 nitrogen atoms, optionally substituted with a C₁₋₆ alkyl group, or six-membered aromatic heterocylic ring containing up to 4 nitrogen atoms, optionally substituted with a C₁₋₆ alkyl group.    or a non-toxic pharmaceutically acceptable salt, physiologically hydrolyzable ester or solvate thereof.

  式中的二硫代乙醛碳青霉烯类 其中 R¹ 是氢或 C₁₋₆ 烷基； n为0、1或2； R³ 是氢或 C₁₋₆ 烷基； R² 是 C₁₋₆烷基、 可被氰基、-CONH₂、-CH₂OH、-CH₂NH₂、-CONHNH₂或最多 5 个卤素原子、C₁₋₆ 烷基或 C₁₋₆ 烷氧基取代的苯基、 苯基甲基，在苯基环上可选择被多达 5 个卤素原子、C₁₋₆ 烷基或 C₁₋₆ 烷氧基取代，或 或 由式 -(CH₂)p-X 其中 p 为 0 或 1；X 为含有最多 1 个硫、1 个氧或 4 个氮原子的五元芳香杂环，可选被 C₁₋₆ 烷基取代，或含有最多 4 个氮原子的六元芳香杂环，可选被 C₁₋₆ 烷基取代。 或其无毒的药学上可接受的盐、生理上可水解的酯或溶剂。