2-((6-chrysenylmethyl)amino)-2-methyl-1,3-propanediol hydrochloride | 96404-70-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 菲及其衍生物
• 英文名称: 2-((6-chrysenylmethyl)amino)-2-methyl-1,3-propanediol hydrochloride
• 英文别名: 2-(chrysen-6-ylmethylamino)-2-methylpropane-1,3-diol;hydrochloride
• CAS: 96404-70-5
• 化学式: C₂₃H₂₃NO₂*ClH
• 分子量: 381.902
• InChiKey: YGEGBGIKIMBDDO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  27
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  52.5
• 氢给体数：
  4
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-((6-chrysenylmethyl)amino)-2-methyl-1,3-propanediol hydrochloride 以96%的产率得到
  参考文献：
  名称：

  BAIR, KENNETH W.

  摘要：

  DOI：
• 作为产物：
  描述：

  6-chrysenecarbaldehyde 、 2-氨基-2-甲基-1,3-丙二醇 、 对甲苯磺酸 、 氰基硼氢化钠 、 盐酸 以57%的产率得到
  参考文献：
  名称：

  BAIR, KENNETH W.

  摘要：

  DOI：

文献信息

• Crysene compound
  申请人：Burroughs Wellcome Co.

  公开号：US04719048A1

  公开（公告）日：1988-01-12

  The present invention relates to compounds of formula (I) ArCH.sub.2 R.sup.1 (I) or a monomethyl or a monoethyl ether thereof (the compound of formula (I) including these ethers may contain no more than 30 carbon atoms in total); ethers, esters thereof; acid addition salts thereof; wherein Ar is a chrysene or substituted chrysene ring system; 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; R.sup.8 and R.sup.9 are the ame 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.

  本发明涉及通式(I)ArCH₂R¹(I)的化合物或其单甲基或单乙基醚(通式(I)的化合物包括这些醚，其总共含有不超过30个碳原子); 醚、酯及其酸加成盐; 其中Ar是晕苯或取代晕苯环系; R¹含有不超过八个碳原子，是如下所示的基团##STR1##其中m是0或1; R⁵是氢; R⁶和R⁷相同或不同，各自是氢或C₁-₃烷基，可选择性地被羟基取代; R⁸和R⁹相同或不同，各自是氢或C₁-₃烷基; ##STR2##是一个五元或六元饱和碳环; R¹⁰是氢、甲基或羟甲基; R¹¹、R¹²和R¹³相同或不同，各自是氢或甲基; R¹⁴是氢、甲基、羟基或羟甲基。
• Crysene derivatives
  申请人：Burroughs Wellcome Co.

  公开号：US04719046A1

  公开（公告）日：1988-01-12

  The present invention relates to compounds of formula (I) ArCH.sub.2 R.sup.1 (I) or a monomethyl or a monoethyl ether thereof (the compound of formula (I) including these ethers may contain no more than 30 carbon atoms in total); ethers, esters thereof; acid addition salts thereof; wherein Ar is a chrysene or substituted chrysene ring system; 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; 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)的化合物或其单甲基或单乙基醚(式(I)化合物包括这些醚，可能总共含有不超过30个碳原子);其醚、酯;其酸加成盐;其中Ar是晕苯或取代晕苯环系;R.sup.1包含不超过八个碳原子，并且是如下所示的基团##STR1##其中m是0或1;R.sup.5是氢;R.sup.6和R.sup.7相同或不同，各自为氢或C.sub.1-3烷基，任选被羟基取代;R.sup.8和R.sup.9相同或不同，各自为氢或C.sub.1-3烷基，##STR2##是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，各自为氢或甲基;R.sup.14是氢、甲基、羟基或羟甲基。
• Chrysene compound
  申请人：Burroughs Wellcome Co.

  公开号：US04810727A1

  公开（公告）日：1989-03-07

  The present invention relates to compounds of formula (I) ArCH.sub.2 R.sup.1 (I) or a monomethyl or a monoethyl ether thereof (the compound of formula (I) including these ethers may contain no more than 30 carbon atoms in total); ethers, esters thereof; acid addition salts thereof; wherein Ar is a chrysene or substituted chrysene ring system; 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; 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) ArCH.sub.2R.sup.1(I)化合物或其单甲基或单乙基醚（式(I)化合物包括这些醚，总碳原子数不超过30）；醚，酯；其酸加成盐；其中Ar是蒽或取代蒽环系统；R.sup.1不超过八个碳原子，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，每个是氢或C.sub.1-3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；--C--C--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。
• Chrysene derivatives
  申请人：Burroughs Wellcome Co.

  公开号：US04829090A1

  公开（公告）日：1989-05-09

  The present invention relates to compounds of formula (I) ArCH.sub.2 R.sup.1 (I) or a monomethyl or a monoethyl ether thereof (the compound of formula (I) including these ethers may contain no more than 30 carbon atoms in total); ethers, esters thereof; acid addition salts thereof; wherein Ar is a chrysene or substituted chrysene ring system; 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; 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)的化合物 ArCH.sub.2 R.sup.1(I)或其甲基或乙基单醚（包括这些醚的式(I)化合物总共不超过30个碳原子）；它们的醚、酯；它们的酸加成盐；其中Ar是蒽或取代蒽环系统；R.sup.1不含超过八个碳原子，是一个基团##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.1-3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。
• Polycyclic aromatic compounds
  申请人：THE WELLCOME FOUNDATION LIMITED

  公开号：EP0125702B1

  公开（公告）日：1987-08-12