1-(3-tert-butylamino-2-hydroxypropoxy)-6,7,8,9-tetrahydro-7,7-dimethyl-5H-benzocyclohepten-6-one | 68591-77-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 四氢化萘
• 英文名称: 1-(3-tert-butylamino-2-hydroxypropoxy)-6,7,8,9-tetrahydro-7,7-dimethyl-5H-benzocyclohepten-6-one
• 英文别名: 1-[3-(tert-butylamino)-2-hydroxypropoxy]-7,7-dimethyl-8,9-dihydro-5H-benzo[7]annulen-6-one
• CAS: 68591-77-5
• 化学式: C₂₀H₃₁NO₃
• 分子量: 333.471
• InChiKey: XQZCDNIDMNSWSA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  24
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  58.6
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  1-(3-chloro-2-hydroxypropoxy)-6,7,8,9-tetrahydro-7,7-dimethyl-5H-benzocyclohepten-6-one 、 叔丁胺 生成 1-(3-tert-butylamino-2-hydroxypropoxy)-6,7,8,9-tetrahydro-7,7-dimethyl-5H-benzocyclohepten-6-one
  参考文献：
  名称：

  PAYNE, T. G.;BERTHOLD, R.

  摘要：

  DOI：

文献信息

• 8'-[(3-Amino-2-hydroxy-propoxy)]-spiro-[cyclopentane-1,2'(1
  申请人：Sandoz Ltd.

  公开号：US04411913A1

  公开（公告）日：1983-10-25

  Compounds of formula I ##STR1## wherein (i) m is O, n is 2 and p is 1 or (ii) m is 0 or 1, n is 1, and p is 1 or (iii) m is 1, n is 1 or 2 and p is 0, R.sub.1 is (i) alkyl of 3 to 7 carbon atoms or (ii) phenylalkyl, phenoxyalkyl or phenylthioalkyl of 8 to 11 carbon atoms in the aggregate thereof and wherein the phenyl ring is separated by at least 2 carbon atoms from the nitrogen atom to which R.sub.1 is bound and wherein the phenyl ring is unsubstituted, or mono-substituted by, or independently disubstituted by, alkyl or alkoxy of 1 to 4 carbon atoms, halogen of atomic number from 9 to 35, trifluoromethyl or cyano, R.sub.2 and R.sub.3 are either together straight chain alkylene of 4 to 6 carbon atoms, or, independently, hydrogen or alkyl of 1 to 4 carbon atoms, with the proviso that when m is 1, n is 1 and p is 0 then at least one of R.sub.2 and R.sub.3 is other than hydrogen, and R.sub.4 and R.sub.5 are, independently, hydrogen or alkyl of 1 to 4 carbon atoms, are useful in the treatment of coronary disorders.

  化合物的式子为I##STR1##其中(i) m为O，n为2，p为1或(ii) m为0或1，n为1，p为1或(iii) m为1，n为1或2，p为0，R.sub.1为(i) 3至7个碳原子的烷基或(ii) 总共为8到11个碳原子的苯基烷基，苯氧基烷基或苯硫基烷基，其中苯环与R.sub.1结合的氮原子至少隔着2个碳原子，并且苯环未被取代，或者被单独取代或独立二取代，取代基为1至4个碳原子的烷基或烷氧基，原子序数为9至35的卤素，三氟甲基或氰基，R.sub.2和R.sub.3要么一起是4至6个碳原子的直链烷基，要么独立是氢或1至4个碳原子的烷基，但当m为1，n为1，p为0时，R.sub.2和R.sub.3中至少有一个不是氢，R.sub.4和R.sub.5独立地为氢或1至4个碳原子的烷基。这些化合物在治疗冠状动脉疾病方面是有用的。
• US4411913A
  申请人：——

  公开号：US4411913A

  公开（公告）日：1983-10-25