Tetraisopropyl 2-[3-tert-butyl-4-hydroxynaphthyl]-ethenylidene-1,1-diphosphonate | 134787-34-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: Tetraisopropyl 2-[3-tert-butyl-4-hydroxynaphthyl]-ethenylidene-1,1-diphosphonate
• 英文别名: tetraisopropyl 2-[3-t-butyl-4-hydroxynaphthyl]ethenylidene-1,1-diphosphonate；4-[2,2-Bis[di(propan-2-yloxy)phosphoryl]ethenyl]-2-tert-butylnaphthalen-1-ol
• CAS: 134787-34-1
• 化学式: C₂₈H₄₄O₇P₂
• 分子量: 554.601
• InChiKey: CHNKHEPJSKNPCC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.5
• 重原子数：
  37
• 可旋转键数：
  12
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  91.3
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  N-甲基吗啉 、 亚甲基二磷酸四异丙酯 、 3-t-butyl-4-hydroxy-1-naphthaldehyde 在 四氯化钛 作用下， 以 四氢呋喃 、 醋酸异丙酯 、 水 为溶剂， 以80%的产率得到Tetraisopropyl 2-[3-tert-butyl-4-hydroxynaphthyl]-ethenylidene-1,1-diphosphonate
  参考文献：
  名称：

  Naphthalene and tetrahydronaphthalene gem-diphosphonate derivatives

  摘要：

  公开号：

  EP0418064B1

文献信息

• USE OF ARYL-SUBSTITUTED 1,1-DIPHOSPHONATES FOR THE TREATMENT OF BONE DISEASES
  申请人：Ilex Oncology Research S.A.

  公开号：EP1326618A2

  公开（公告）日：2003-07-16
• US5204336A
  申请人：——

  公开号：US5204336A

  公开（公告）日：1993-04-20
• [EN] PHARMACEUTICAL COMPOUNDS<br/>[FR] COMPOSES PHARMACEUTIQUES
  申请人：SYMPHAR SA

  公开号：WO2002011704A2

  公开（公告）日：2002-02-14

  The invention provides the use of an aryl-substituted 1,1-diphosphonate for the manufacture of a medicament for stimulating bone formation; said aryl-susbtituted 1,1-diphosphonate being a compound of formula (I) in which A is (a) or (b) or (c) where: XO is H, an alkyl group having from 1 to 4 carbon atoms; X?1, X2 and X3¿ are identical or different and are H, a straight or branched alkyl or alkoxy group having from 1 to 8 carbon atoms, X4 is H, a straight or branched alkyl group having from 1 to 8 carbon atoms, an optionally substituted benzyl group, X5 is H, a straight or branched alkyl group having from 1 to 8 carbon atoms, X6 is H or an alkyl group having from 1 to 4 carbon atoms, q is 0 or 1, R?1, R2, R3 and R4¿ are identical or different and are H, a straight, branched or cyclic alkyl group comprising from 1 to 8 carbon atoms, or R?1, R2 and R3 and R4¿ may form an alkylidenedioxy ring comprising from 2 to 8 carbon atoms, L is -CH=CH-CH¿2?-, -(CH2)n, -O(CH2)n, -S-, -SO2, -S(CH2)n-, -SO2(CH2)n, where n is an integer from 1 to 7, or together with B, L is (CH=CH)k-(CH2)dCH=where k is 0 or 1 and d is an integrer from 0 to 4, -B is H, an alkyl group having from 1 to 4 carbon atoms, -t is 0 or 1, with the proviso that t is 0 only when L, together with B, is (CH=CH)k-(CH2)d-CH= where k and d are as described above, and with the further proviso that when L is -(CH2)n or -S-, at least one of R?1, R2, R3 and R4¿ is other than hydrogen.
• Naphthalene and tetrahydronaphthalene gem-diphosphonate derivatives
  申请人：SYMPHAR S.A.

  公开号：EP0418064B1

  公开（公告）日：1994-12-14