8-甲基苯并[b]萘并[2,3-d]噻吩 | 24964-07-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 中文名称: 8-甲基苯并[b]萘并[2,3-d]噻吩
• 英文名称: 8-methyl-benzo[b]naphtho[2,3-d]thiophene
• 英文别名: Benzo[b]naphtho[2,3-d]thiophene, 8-methyl-；8-methylnaphtho[2,3-b][1]benzothiole
• CAS: 24964-07-6
• 化学式: C₁₇H₁₂S
• 分子量: 248.348
• InChiKey: AHDCOIWBTWIVLJ-UHFFFAOYSA-N

物化性质

• 熔点：
  172-174 °C
• 沸点：
  446.5±14.0 °C(Predicted)
• 密度：
  1.257±0.06 g/cm3(Predicted)
• 保留指数：
  412.41;413.75;414.68

计算性质

• 辛醇/水分配系数(LogP)：
  5.9
• 重原子数：
  18
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.06
• 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：

  8-甲基苯并[b]萘并[2,3-d]噻吩 在 2,3-二氯-5,6-二氰基-1,4-苯醌 作用下， 以 氯仿 、 水 为溶剂， 以22.7%的产率得到benzo[b]naphtho[2,3-d]thiophene-8-carbaldehyde
  参考文献：
  名称：

  Benzo[c]carbazole propanediol compound and salts thereof

  摘要：

  本发明涉及化合物的公式（I）ArCH.sub.2R.sup.1（I）或其单甲基或单乙基醚（公式（I）的化合物包括这些醚，在总共不超过29个碳原子中）; 它们的醚，酯; 酸加成盐; 其中Ar是由5个和6个成员环组成的融合四环芳香环系统，包含至少一个杂原子和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，它被氢，甲基或乙基取代; R.sup.1不含超过八个碳原子，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.1-5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。

  公开号：

  US04797495A1
• 作为产物：
  描述：

  2-(2-carboxy-5-methylphenylmethyl)benzothiophene 生成 8-甲基苯并[b]萘并[2,3-d]噻吩
  参考文献：
  名称：

  Pratap, Ram; Tominaga, Yoshinori; Castle, Raymond N., Journal of Heterocyclic Chemistry, 1982, vol. 19, p. 865 - 869

  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 phenanthro furan heterocyclic derivatives compositions and
  申请人：Burroughs Wellcome Co.

  公开号：US04918101A1

  公开（公告）日：1990-04-17

  The present invention relates to antitumor 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 O 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; --C--C-- 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)的抗肿瘤化合物，或其单甲基或单乙基醚（式(I)的化合物包括这些醚，在总共不超过29个碳原子的情况下）；醚，酯；酸盐加成物；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，总共不超过18个环原子，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；R1含有不超过八个碳原子，是一个基团##STR1##其中m为O或1；R5为氢；R6和R7相同或不同，每个都是氢或C1-5烷基，可选地被羟基取代；R8和R9相同或不同，每个都是氢或C1-3烷基；--C--C--是一个五元或六元饱和碳环；R10为氢、甲基或羟甲基；R11、R12和R13相同或不同，每个都是氢或甲基；R14为氢、甲基、羟基或羟甲基。
• Benzo[c]curbazole derivatives, compositions and use
  申请人：Burroughs Wellcome Co.

  公开号：US04952597A1

  公开（公告）日：1990-08-28

  The present invention related 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 heteratom 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.

  本发明涉及化合物的抗肿瘤化合物的公式（I）ArCH.sub.2R.sup.1（I）或其单甲基或单乙基醚（公式（I）的化合物包括这些醚，总共不超过29个碳原子）；醚，酯；其酸加成盐；其中Ar是由5个成员和6个成员的环组成的融合四环芳香环系统，并包含至少一个杂原子和3个芳香环，总环原子数不超过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含有不超过八个碳原子，并且是一个组##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##是一个五个或六个成员的饱和碳环；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，每个都是氢或甲基；R.sup.14是氢，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。
• Tetracyclic thiophene derivatives
  申请人：Burroughs Wellcome Co.

  公开号：US04855453A1

  公开（公告）日：1989-08-08

  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.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，在总共不超过29个碳原子的情况下）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，并且包含至少一个杂原子和3个芳香环，总共不超过18个环原子，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，每个都是氢或C.sub.1-5烷基，可选择性地被羟基取代；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。

表征谱图