2-(3,4-Dimethylphenyl)-3-hydroxy-4-methylcarbonyl thiophene | 885603-17-8

• 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: 2-(3,4-Dimethylphenyl)-3-hydroxy-4-methylcarbonyl thiophene
• 英文别名: 1-[5-(3,4-Dimethylphenyl)-4-hydroxythiophen-3-yl]ethan-1-one；1-[5-(3,4-dimethylphenyl)-4-hydroxythiophen-3-yl]ethanone
• CAS: 885603-17-8
• 化学式: C₁₄H₁₄O₂S
• 分子量: 246.33
• InChiKey: KNUPXHRCDBEHDX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  65.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2-(3,4-dimethylphenyl)-3-hydroxy-4-methylcarbonyl-2,5-dihydrothiophene 在 磺酰氯 作用下， 以 氯仿 为溶剂， 反应 1.92h， 生成 2-(3,4-Dimethylphenyl)-3-hydroxy-4-methylcarbonyl thiophene
  参考文献：
  名称：

  PROCESS FOR PRODUCTION OF THIOPHENE COMPOUND AND INTERMEDIATE THEREOF

  摘要：

  公开号：

  EP2246343B1

文献信息

• THIOPHENE COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS
  申请人：Miyaji Katsuaki

  公开号：US20090118500A1

  公开（公告）日：2009-05-07

  A compound represented by the formula (I) (wherein R 1 , R 2 , R 3 and R 4 are as defined in the description), a tautomer, prodrug or pharmaceutically acceptable salt of the compound or a solvate thereof.

  化合物的化学式为（I）（其中R1，R2，R3和R4的定义见说明），该化合物的互变异构体、前药或药物可接受的盐或其溶剂化物。
• HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS
  申请人：OWADA Shingo

  公开号：US20080027068A1

  公开（公告）日：2008-01-31

  A compound represented by the formula (1): wherein A is a nitrogen atom or CR 4 , B is an oxygen atom, a sulfur atom or NR 9 (provided that when A is a nitrogen atom, B is not NH), R 1 is a C 2-14 aryl group, L 1 is a bond, CR 10 R 11 , an oxygen atom, a sulfur atom or NR 12 , X is OR 13 , SR 13 or NR 14 NR 15 , R 2 is a hydrogen atom, a formyl group, a C 1-10 alkyl group or the like, L 2 is a bond or the like, L 3 is a bond, CR 17 R 18 , an oxygen atom, a sulfur atom or NR 19 , L 4 is a bond, CR 20 R 21 , an oxygen atom, a sulfur atom or NR 22 , Y is an oxygen atom, a sulfur atom or NR 23 , and R 3 is a C 2-14 aryl group, a tautomer, prodrug or is pharmaceutically acceptable salt of the compound or a solvate thereof.

  化合物的化学式为（1）：其中A是氮原子或CR4，B是氧原子、硫原子或NR9（但当A是氮原子时，B不是NH），R1是C2-14芳基基团，L1是键，CR10R11、氧原子、硫原子或NR12，X是OR13、SR13或NR14NR15，R2是氢原子、甲酰基、C1-10烷基或类似物，L2是键或类似物，L3是键，CR17R18、氧原子、硫原子或NR19，L4是键，CR20R21、氧原子、硫原子或NR22，Y是氧原子、硫原子或NR23，R3是C2-14芳基基团，化合物的互变异构体、前药或药学上可接受的盐或其溶剂。
• 3-ETHYLIDENEHYDRAZINO SUBSTITUTED HETEROCYCLIC COMPOUNDS AS THROMBOPOIETIN RECEPTOR ACTIVATORS
  申请人：Miyaji Katsuaki

  公开号：US20090281317A1

  公开（公告）日：2009-11-12

  A compound represented by the formula (1): wherein A, B, R 1 , L 1 , R 2 , L 2 , L 3 , Y, L 4 , R 3 and X are the same as defined in the description, a tautomer, prodrug or pharmaceutically acceptable salt of the compound or a solvate thereof.

  一种由式（1）所表示的化合物：其中A、B、R1、L1、R2、L2、L3、Y、L4、R3和X的定义与说明中相同，该化合物的互变异构体、前药或药学上可接受的盐或其溶剂。
• PROCESS FOR PRODUCING THIOPHENE COMPOUND AND INTERMEDIATE THEREOF
  申请人：Yanagihara Kazufumi

  公开号：US20110124884A1

  公开（公告）日：2011-05-26

  To provide a novel process for producing a 2-aryl-3-hydroxy-4-substituted carbonyl thiophene compound or an intermediate thereof useful as an intermediate for production of medicines and agricultural chemicals. A 2-aryl acetate compound represented by the formula (1): wherein R 1 is an aryl group or the like, R 4 is a C 1-3 alkyl group or the like, and X is a leaving group, is reacted with a thioacetic acid compound to form a thioacetyl compound (3), the thioacetyl compound (3) is reacted with a vinyl ketone compound to form a γ-ketosulfide compound (5), which is cyclized under basic conditions to form a dihydrothiophene compound (6), and the dihydrothiophene compound (6) is oxidized by using an oxidizing agent to produce a 2-aryl-3-hydroxy-4-substituted carbonyl thiophene compound (7).

  提供一种新型方法，用于生产用作药物和农药中间体的2-芳基-3-羟基-4-取代羰基噻吩化合物或其中间体。将式（1）代表的2-芳基乙酸酯化合物：其中R1是芳基或类似物，R4是C1-3烷基或类似物，X是离去基团，与硫代乙酸化合物反应形成硫代乙酰化合物（3），硫代乙酰化合物（3）与乙烯基酮化合物反应形成γ-酮磺醚化合物（5），在碱性条件下环化形成二氢噻吩化合物（6），使用氧化剂氧化二氢噻吩化合物（6）以产生2-芳基-3-羟基-4-取代羰基噻吩化合物（7）。
• Process for producing thiophene compound and intermediate thereof
  申请人：Yanagihara Kazufumi

  公开号：US08399685B2

  公开（公告）日：2013-03-19

  To provide a novel process for producing a 2-aryl-3-hydroxy-4-substituted carbonyl thiophene compound or an intermediate thereof useful as an intermediate for production of medicines and agricultural chemicals. A 2-aryl acetate compound represented by the formula (1): wherein R1 is an aryl group or the like, R4 is a C1-3 alkyl group or the like, and X is a leaving group, is reacted with a thioacetic acid compound to form a thioacetyl compound (3), the thioacetyl compound (3) is reacted with a vinyl ketone compound to form a γ-ketosulfide compound (5), which is cyclized under basic conditions to form a dihydrothiophene compound (6), and the dihydrothiophene compound (6) is oxidized by using an oxidizing agent to produce a 2-aryl-3-hydroxy-4-substituted carbonyl thiophene compound (7).

  提供一种新的生产2-芳基-3-羟基-4-取代羰基噻吩化合物或其中间体的方法，该方法可用作制药和农业化学品的中间体。将式（1）表示的2-芳基乙酸酯化合物：其中R1是芳基或类似物，R4是C1-3烷基或类似物，X是离去基团，与硫乙酸化合物反应形成硫乙酰化合物（3），硫乙酰化合物（3）与乙烯酮化合物反应形成γ-酮磺醚化合物（5），在碱性条件下环化成二氢噻吩化合物（6），使用氧化剂将二氢噻吩化合物（6）氧化，从而产生2-芳基-3-羟基-4-取代羰基噻吩化合物（7）。