2-(4-Chlorophenyl)-3-hydroxy-4-methylcarbonyl thiophene | 808123-65-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-(4-Chlorophenyl)-3-hydroxy-4-methylcarbonyl thiophene
• 英文别名: 1-[5-(4-Chlorophenyl)-4-hydroxythiophen-3-yl]ethan-1-one；1-[5-(4-chlorophenyl)-4-hydroxythiophen-3-yl]ethanone
• CAS: 808123-65-1
• 化学式: C₁₂H₉ClO₂S
• 分子量: 252.721
• InChiKey: OGBRLOGEXGACFE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  65.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-(4-Chlorophenyl)-3-hydroxy-4-methylcarbonyl thiophene 、 4-Hydrazinocabonothioylamino-2-chlorobenzoic acid 生成 4-{[(2-{1-[5-(4-Chlorophenyl)-4-hydroxy-3-thienyl]ethylidene}hydrazino)carbonothioyl]amino}-2-chlorobenzoic acid
  参考文献：
  名称：

  Heterocyclic compounds and thrombopoietin receptor activators

  摘要：

  化合物的化学式为（1），其中A是一个氮原子或CR4，B是一个氧原子、硫原子或NR9（当A是氮原子时，B不能是NH），R1是一个C2-14芳基基团，L1是一个键，CR10R11、一个氧原子、硫原子或NR12，X是OR13、SR13或NR14NR15，R2是一个氢原子、甲酰基基团、C1-10烷基或类似物，L2是一个键或类似物，L3是一个键，CR17R18、一个氧原子、硫原子或NR19，L4是一个键，CR20R21、一个氧原子、硫原子或NR22，Y是一个氧原子、硫原子或NR23，R3是一个C2-14芳基基团，该化合物的互变异构体、前药、药学上可接受的盐或其溶剂化合物。

  公开号：

  US08318796B2
• 作为产物：
  描述：

  2-(4-chlorophenyl)-3-hydroxy-4-methylcarbonyl-2,5-dihydrothiophene 在 磺酰氯 作用下， 以 氯仿 为溶剂， 反应 1.5h， 以77%的产率得到2-(4-Chlorophenyl)-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

• [EN] 3-ALKYLIDENEHYDRAZINO SUBSTITUTED HETEROARYL COMPOUNDS AS THROMBOPOIETIN RECEPTOR ACTIVATORS<br/>[FR] UTILISATION DE COMPOSES HETEROARYLES A SUBSTITUTION 3-ALKYLIDENEHYDRAZINO EN TANT QU'ACTIVATEURS DU RECEPTEUR DE LA THROMBOPOIETINE
  申请人：NISSAN CHEMICAL IND LTD

  公开号：WO2004108683A1

  公开（公告）日：2004-12-16

  A compound represented by the formula (1): wherein A is a nitrogen atom or CR4, B is an oxygen atom, a sulfur atom or NR9 (provided that when A is a nitrogen atom, B is not NH), R1 is a C2-14; aryl group, L1 is a bond, CR10R11, an oxygen atom, a sulfur atom or NR12, X is OR13, SR13 or NR14NR15, R2 is a hydrogen atom, a formyl group, a C1-10; alkyl group or the like, L2 is a bond or the like, L3 is a bond, CR17R18, an oxygen atom, a sulfur atom or NR19, L4 is a bond, CR20R21, an oxygen atom, a sulfur atom or NR22, Y is an oxygen atom, a sulfur atom or NR23, and R3 is a C2-14; aryl group, a tautomer, prodrug or pharmaceutically acceptable salt of the compound or a solvate thereof.

  化合物的结构式（1）如下：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，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、化合物的互变异构体、前药或药学上可接受的盐或其溶剂化合物。
• 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。
• 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。
• Heterocyclic compounds and thrombopoietin receptor activators
  申请人：Nissan Chemical Industries, Ltd.

  公开号：US07576115B2

  公开（公告）日：2009-08-18

  A compound represented by the formula (1): wherein A is a nitrogen atom or CR4, B is an oxygen atom, a sulfur atom or NR9 (provided that when A is a nitrogen atom, B is not NH), R1 is a C2-14 aryl group, L1 is a bond, CR10R11, an oxygen atom, a sulfur atom or NR12, X is OR13, SR13 or NR14NR15, R2 is a hydrogen atom, a formyl group, a C1-10 alkyl group or the like, L2 is a bond or the like, L3 is a bond, CR17R18, an oxygen atom, a sulfur atom or NR19, L4 is a bond, CR20R21, an oxygen atom, a sulfur atom or NR22, Y is an oxygen atom, a sulfur atom or NR23, and R3 is a C2-14 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为氮原子或CR4，B为氧原子、硫原子或NR9（但当A为氮原子时，B不为NH），R1为C2-14芳基基团，L1为键，CR10R11、氧原子、硫原子或NR12，X为OR13、SR13或NR14NR15，R2为氢原子、甲酰基、C1-10烷基或类似基团，L2为键或类似物，L3为键，CR17R18、氧原子、硫原子或NR19，L4为键，CR20R21、氧原子、硫原子或NR22，Y为氧原子、硫原子或NR23，R3为C2-14芳基基团、互变异构体、前药或该化合物的药学上可接受的盐或其溶剂化物。
• 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）。