5-(4-ethylbenzyl)benzo[b]thiophene | 882663-36-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻吩类
• 英文名称: 5-(4-ethylbenzyl)benzo[b]thiophene
• 英文别名: 5-[(4-ethylphenyl)methyl]-1-benzothiophene
• CAS: 882663-36-7
• 化学式: C₁₇H₁₆S
• 分子量: 252.38
• InChiKey: HOOACDOIXYMMOA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  28.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  5-(4-ethylbenzyl)benzo[b]thiophene 、 氯磷酸二乙酯 在 正丁基锂 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 反应 1.5h， 生成 5-(4-ethylbenzyl)benzo[b]thiophen-2-phosphonic acid diethylester
  参考文献：
  名称：

  EP1813620

  摘要：

  公开号：

文献信息

• Phosphonic Acid Derivatives and the Treating Agents of Diseases Related Hyperphosphatemia
  申请人：Tomiyama Hiroshi

  公开号：US20080119441A1

  公开（公告）日：2008-05-22

  This invention related to a series of new phosphonic acid derivatives having anti-hyperphosphatemia activity. (I) [wherein: A is selected from —(CH 2 ) n —, —CO—, —(CH 2 ) n —CO—(CH 2 ) m —, —(CH 2 ) n —CS—(CH 2 ) m — or branched alkylene group. B ring and C ring are selected from benzene ring, naphthalene ring, azulene ring or, heterocycle or fused heterocycle. D is —(CH 2 ) (n+1) —, —(CH2)-O—(CH 2 ) m —, —(CH 2 )—S(O) o —(CH 2 ) m —, —CF 3 or —(CH 2 ) n —NR 10 —(CH 2 ) m — (wherein: D ring is connected with the carbon atom composing C ring.) E is selected from oxygen atom or sulfur atom. P is phosphine atom. R 1 ˜R 7 (wherein R 1 and R 2 , R 4 and R 5 are joined together with neighbored carbon atom to form 5˜7 membered saturated or unsaturated hydrocarbon ring, or 5˜6 membered fused heterocycle. R 1 , R 2 and R 3 are not hydrogen atom if B ring is benzene ring.) may be the same or different and are substituents. R 8 and R 9 are may be the same or different and are substituents. R 10 is alkyl group. n and m are 0-10. o is 0-2.

  本发明涉及一系列具有抗高磷血症活性的新磷酸衍生物(I) [其中：A选自—(CH2)n—、—CO—、—( )n—CO—( )m—、—( )n—CS—( )m—或支链烷基。B环和C环选自苯环、萘环、蓝环或杂环或融合杂环。D选自—( )(n+1)—、—( )-O—( )m—、—( )—S(O)o—( )m—、—CF3或—( )n—NR10—( )m—（其中：D环与组成C环的碳原子相连）。E选自氧原子或硫原子。P为磷原子。R1˜R7（其中R1和R2，R4和R5与相邻的碳原子结合形成5˜7个成员的饱和或不饱和碳氢化合物环，或5˜6个成员的融合杂环。如果B环为苯环，则R1、R2和R3不是氢原子。）可能相同或不同，并且是取代基。R8和R9可能相同或不同，并且是取代基。R10是烷基。n和m为0-10。o为0-2。
• Phosphonic acid derivatives and the treating agents of diseases related hyperphosphatemia
  申请人：Kotobuki Pharmaceutical Co., Ltd.

  公开号：US07691898B2

  公开（公告）日：2010-04-06

  This invention related to a series of new phosphonic acid derivatives having anti-hyperphosphatemia activity. wherein: A is selected from —(CH2)n—, —CO—, —(CH2)n—CO—(CH2)m—, —(CH2)n—CS—(CH2)m— or a branched alkylene group, B ring and C ring are selected from a benzene ring, naphthalene ring, azulene ring or, heterocycle or fused heterocycle compound, D is —(CH2)(n+1)—, —(CH2)—O—(CH2)m—, —(CH2)—S(O)o—(CH2)m—, —CF3 or —(CH2)n—NR10—(CH2)m— wherein a D ring is connected with the carbon atom composing the C ring, E is selected from an oxygen atom or a sulfur atom, P is a phosphine atom, R1˜R7, wherein R1 and R2, R4 and R5 are joined together with neighbored carbon atom to form 5˜7 membered saturated or unsaturated hydrocarbon ring, or 5˜6 membered fused heterocycle, R1, R2 and R3 are not a hydrogen atom if the B ring is a benzene ring and may be the same or different and are substituents, R8 and R9 are may be the same or different and are substituents, R10 is an alkyl group, n and m are 0-10 and o is 0-2.

  本发明涉及一系列具有抗高磷血症活性的新磷酸衍生物，其中：A选自—(CH2)n—、—CO—、—( )n—CO—( )m—、—( )n—CS—( )m—或支链烷基，B环和C环选自苯环、萘环、蓝环或杂环或融合的杂环化合物，D为—( )(n+1)—、—( )—O—( )m—、—( )—S(O)o—( )m—、—CF3或—( )n—NR10—( )m—，其中D环与组成C环的碳原子相连，E选自氧原子或硫原子，P为磷化物原子，R1˜R7，其中R1和R2、R4和R5与相邻的碳原子连接形成5˜7个成员的饱和或不饱和碳氢化合物环，或5˜6个成员的融合杂环，如果B环是苯环，则R1、R2和R3不是氢原子，可以相同或不同，是取代基，R8和R9可以相同或不同，是取代基，R10是烷基，n和m为0-10，o为0-2。
• PHOSPHONIC ACID DERIVATIVE AND THERAPEUTIC AGENT FOR DISEASE IN WHICH HIGH PHOSPHATE LEVEL IN BLOOD PARTICIPATES
  申请人：Kotobuki Pharmaceutical Co., Ltd.

  公开号：EP1813620A1

  公开（公告）日：2007-08-01

  This invention related to a series of new phosphonic acid derivatives having anti- hyperphosphatemia activity. (I) [wherein: A is selected from -(CH2)n-, -CO-, -(CH2)n -CO-(CH2)m-, -(CH2)n -CS-(CH2)m- or branched alkylene group. B ring and C ring are selected from benzene ring, naphthalene ring, azulene ring or, heterocycle or fused heterocycle. D is -(CH2)(n+1)-, -(CH2)-O-(CH2)m-, -(CH2)-S(O)o-(CH2)m-, -CF3 or -(CH2)n-NR10-(CH2)m- (wherein: D ring is connected with the carbon atom composing C ring.). E is selected from oxygen atom or sufur atom. P is phosphine atom. R1 ~ R7 (wherein R1 and R2, R4 and R5 are joined together with neighbored carbon atom to form 5 ~ 7 membered saturated or unsaturated hydrocarbon ring, or 5 ~ 6 membered fused hetrocycle. R1, R2 and R3 are not hydrogen atom if B ring is benzene ring.) may be the same or different and are substituents. R8 and R9 are may be the same or different and are substituents. R10 is alkyl group. n and m are 0-10. o is 0-2.

  本发明涉及一系列具有抗高磷酸盐血症活性的新型膦酸衍生物。(I) 其中A 选自-(CH2)n-、-CO-、-( )n-CO-( )m-、-( )n-CS-( )m-或支链亚烷基。B 环和 C 环选自苯环、萘环、薁环或杂环或融合杂环。D 是-( )(n+1)-、-( )-O-( )m-、-( )-S(O)o-( )m-、-CF3 或-( )n-NR10-( )m-（其中：D 环与组成 C 环的碳原子相连）。E 选自氧原子或呋喃原子。P 是膦原子。R1 ~ R7（其中 R1 和 R2、R4 和 R5 与相邻的碳原子连接在一起，形成 5 ~ 7 个成员的饱和或不饱和烃环，或 5 ~ 6 个成员的融合三环。如果 B 环是苯环，则 R1、R2 和 R3 不是氢原子）可以相同或不同，并且是取代基。R8 和 R9 可以是相同或不同的取代基。R10 是烷基。
• US7691898B2
  申请人：——

  公开号：US7691898B2

  公开（公告）日：2010-04-06