5-formylbenzonaphtho<2,1-d>thiophene | 22053-75-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 5-formylbenzonaphtho<2,1-d>thiophene
• 英文别名: Benzo[b]naphtho[2,1-d]thiophene-5-carbaldehyde；naphtho[1,2-b][1]benzothiole-5-carbaldehyde
• CAS: 22053-75-4
• 化学式: C₁₇H₁₀OS
• 分子量: 262.332
• InChiKey: QKQSEQNMQDGQCU-UHFFFAOYSA-N

物化性质

• 熔点：
  158-159 °C(Solv: cyclohexane (110-82-7))
• 沸点：
  497.2±18.0 °C(Predicted)
• 密度：
  1.359±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  19
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  45.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  5-formylbenzonaphtho<2,1-d>thiophene 在 氯化亚砜 、 sodium hypobromide 、 双氧水 、 溶剂黄146 作用下， 以 1,4-二氧六环 为溶剂， 反应 20.0h， 生成 S,S-dioxybenzonaphtho<2,1-d>thiophene-5-carboxylic acid chloride
  参考文献：
  名称：

  Dacka, Stanislaw, Polish Journal of Chemistry, 1983, vol. 57, # 10-12, p. 1345 - 1352

  摘要：

  DOI：
• 作为产物：
  描述：

  5-chloromethylbenzonaphtho<2,1-d>thiophene 生成 5-formylbenzonaphtho<2,1-d>thiophene
  参考文献：
  名称：

  Dacka, Stanislaw, Polish Journal of Chemistry, 1983, vol. 57, # 10-12, p. 1345 - 1352

  摘要：

  DOI：

文献信息

• Phenanthro[2,3-6]thiophene derivatives, pharmaceutical compositions and
  申请人：Burroughs Wellcome Co.

  公开号：US04910218A1

  公开（公告）日：1990-03-20

  The present invention relates to anti tumor compounds of formula (I) ArCH.sub.2 R.sup.1 (I) or a monomethyl or monoethyl ether thereof (the compound of formula (I) including these ethers may contain no more than 29 carbon atoms in total); ethers, esters thereof; acid addition salts thereof; wherein Ar is a fused tetracyclic aromatic ring system comprised of 5-membered and 6-membered rings and contains at least one heteroatom and 3 aromatic rings and a total of no more than 18 ring atoms, or a substituted derivative thereof; the heteroatom is preferably oxygen, sulfur or nitrogen; when it is nitrogen this is substituted by hydrogen, methyl or ethyl; R.sup.1 contains not more than eight carbon atoms and is a group ##STR1## wherein m is 0 or 1; R.sup.5 is hydrogen; R.sup.6 and R.sup.7 are the same or different and each is hydrogen or C.sub.1-5 alkyl optionally substituted by hydroxy; R.sup.8 and R.sup.9 are the same or different and each is hydrogen or C.sub.1-3 alkyl; ##STR2## is a five or six-membered saturated carbocyclic ring; R.sup.10 is hydrogen, methyl or hydroxymethyl; R.sup.11, R.sup.12 and R.sup.13 are the same or different and each is hydrogen or methyl; R.sup.14 is hydrogen, methyl, hydroxy, or hydroxymethyl.

  本发明涉及式（I）ArCH.sub.2 R.sup.1（I）或其单甲基或单乙基醚（式（I）的化合物包括这些醚，总碳原子数不超过29）的抗肿瘤化合物；它们的醚，酯；酸加成盐；其中Ar是由5元环和6元环组成的融合四环芳香环系统，并含有至少一个杂原子和3个芳香环，总环原子数不超过18，或其取代衍生物；杂原子最好是氧、硫或氮；当它是氮时，被氢、甲基或乙基取代；R.sup.1含有不超过八个碳原子，是一个组##STR1##其中m为0或1；R.sup.5为氢；R.sup.6和R.sup.7相同或不同，每个都是氢或C.sub.1-5烷基，可选择地被羟基取代；R.sup.8和R.sup.9相同或不同，每个都是氢或C.sub.1-3烷基；##STR2##是一个五元或六元饱和碳环；R.sup.10为氢、甲基或羟甲基；R.sup.11、R.sup.12和R.sup.13相同或不同，每个都是氢或甲基；R.sup.14为氢、甲基、羟基或羟甲基。
• Tetracyclic heterocyclic derivatives, pharmaceutical compositions and use
  申请人：Burroughs Wellcome Co.

  公开号：US04999369A1

  公开（公告）日：1991-03-12

  The present invention relates to compounds of formula (I) ArCH.sub.2 R.sup.1 (I) or a monomethyl or monoethyl ether thereof (the compound of formula (I) including these ethers may contain no more than 29 carbon atoms in total); ethers, esters thereof; acid addition salts thereof; wherein Ar is a fused tetracyclic aromatic ring system comprised of 5-membered and 6-membered rings and contains at least one heteroatom and 3 aromatic rings and a total of no more than 18 ring atoms, or a substituted derivative thereof; the heteroatom is preferably oxygen, sulfur or nitrogen; when it is nitrogen this is substituted by hydrogen, methyl or ethyl; R.sup.1 contains not more than eight carbon atoms and is a group ##STR1## wherein m is 0 or 1; R.sup.5 is hydrogen; R.sup.6 and R.sup.7 are the same or different and each is hydrogen or C.sub.1-5 alkyl optionally substituted by hydroxy; R.sup.8 and R.sup.9 are the same or different and each is hydrogen or C.sub.1-3 alkyl; ##STR2## is a five or six-membered saturated carbocyclic ring; R.sup.10 is hydrogen, methyl or hydroxymethyl; R.sup.11, R.sup.12 and R.sup.13 are the same or different and each is hydrogen or methyl; R.sup.14 is hydrogen, methyl, hydroxy, or hydroxymethyl.

  本发明涉及化合物式（I）ArCH.sub.2R.sup.1（I）或其单甲基或单乙基醚（式（I）的化合物包括这些醚，总碳原子数不超过29）；它们的醚，酯；酸加成盐；其中Ar是由5元环和6元环组成的融合四环芳香环系，含有至少一个杂原子和3个芳香环，环原子总数不超过18个，或其取代衍生物；杂原子最好是氧、硫或氮；当它是氮时，它被氢、甲基或乙基取代；R.sup.1含有不超过8个碳原子，是一个基团##STR1##其中m为0或1；R.sup.5是氢；R.sup.6和R.sup.7相同或不同，每个都是氢或C.sub.1-5烷基，可选地被羟基取代；R.sup.8和R.sup.9相同或不同，每个都是氢或C.sub.1-3烷基；##STR2##是一个五元环或六元环饱和碳环；R.sup.10是氢、甲基或羟甲基；R.sup.11、R.sup.12和R.sup.13相同或不同，每个都是氢或甲基；R.sup.14是氢、甲基、羟基或羟甲基。
• Acridinylmethylamino derivatives and pharmaceutical compositions
  申请人：Burroughs Wellcome Co.

  公开号：US04866073A1

  公开（公告）日：1989-09-12

  The present invention relates to compounds of formula (I) ArCH.sub.2 R.sup.1 (I) or a monomethyl or monoethyl ether thereof (the compound of formula (I) including these ethers may contain no more than 29 carbon atoms in total); ethers, esters thereof; acid addition salts thereof; wherein Ar is a C.sub.8-13 fused heterotricyclic ring system containing at least two aromatic rings and no more than 3 heteroatoms (in separate rings), or a C.sub.10-17 fused heterotetracyclic ring system containing at least two aromatic rings and no more than 4 heteroatoms (in separate rings) or a C.sub.12-21 fused heteropentacyclic ring system containing at least three aromatic rings and no more than 5 heteroatoms (in separate rings), or a substituted derivative thereof; there is a maximum of one heteroatom for each ring present but preferably only one or two of the rings contain a heteroatom; the rings forming the heteropolycycle contain five or six atoms; the heteroatoms are conveniently nitrogen, phosphorus, oxygen, sulfur or selenium; suitably the heteroatom is oxygen, sulfur or nitrogen; the ring system should be planar or deviate only slightly from planarity; suitably the ring system is aromatic or contains one or two non-aromatic rings; preferably the ring system is aromatic; nitrogen atoms contained in five-membered rings are substituted by hydrogen, methyl or ethyl; R.sup.1 contains not more than eight carbon atoms and is a group ##STR1## wherein m is 0 or 1; R.sup.5 is hydrogen; R.sup.6 and R.sup.7 are the same or different and each is hydrogen or C.sub.1-3 alkyl optionally substituted by hydroxy; ##STR2## is a five or six-membered saturated carbocyclic ring; R.sup.10 is hydrogen, methyl or hydroxymethyl; R.sup.11, R.sup.12 and R.sup.13 are the same or different and each is hydrogen or methy; R.sup.14 is hydrogen, methyl, hydroxy, or hydroxymethyl.

  本发明涉及公式（I）ArCH.sub.2R.sup.1（I）的化合物或其单甲基或单乙基醚（包括这些醚的公式（I）化合物总共不超过29个碳原子）；醚，酯；其酸加成盐；其中Ar是一个C.sub.8-13融合的杂三环环系统，包含至少两个芳香环和不超过3个杂原子（在不同的环中），或者是一个C.sub.10-17融合的杂四环环系统，包含至少两个芳香环和不超过4个杂原子（在不同的环中）或者是一个C.sub.12-21融合的杂五环环系统，包含至少三个芳香环和不超过5个杂原子（在不同的环中），或其取代衍生物；每个环中最多有一个杂原子，但最好只有一个或两个环中含有杂原子；形成杂多环的环为五元环或六元环；杂原子方便地为氮，磷，氧，硫或硒；适当的杂原子为氧，硫或氮；环系统应平面或仅略微偏离平面；适当的环系统是芳香的或含有一个或两个非芳香环；最好环系统是芳香的；五元环中含有的氮原子被氢，甲基或乙基取代；R.sup.1含有不超过八个碳原子，是一个组##STR1##其中m为0或1；R.sup.5是氢；R.sup.6和R.sup.7相同或不同，每个是氢或C.sub.1-3烷基，可选择地被羟基取代；##STR2##是一个五元环或六元环的饱和碳环；R.sup.10是氢，甲基或羟甲基；R.sup.11，R.sup.12和R.sup.13相同或不同，每个是氢或甲基；R.sup.14是氢，甲基，羟基或羟甲基。
• BAIR, KENNETH W.
  作者：BAIR, KENNETH W.

  DOI：——

  日期：——
• DACKA, S., ANN. UMCS, 1980, 35, 35-47
  作者：DACKA, S.

  DOI：——

  日期：——