1-(3-benzyloxyphenyl)-1,1-dimethylheptane | 79678-41-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-(3-benzyloxyphenyl)-1,1-dimethylheptane
• 英文别名: 1-benzyloxy-3-(1,1-dimethylheptyl)benzene；1-(2-methyloctan-2-yl)-3-phenylmethoxybenzene
• CAS: 79678-41-4
• 化学式: C₂₂H₃₀O
• 分子量: 310.48
• InChiKey: AQYWMKOADPAWEV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.8
• 重原子数：
  23
• 可旋转键数：
  9
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1-(3-benzyloxyphenyl)-1,1-dimethylheptane 生成 1-溴-4-(1,1-二甲基庚基)-2-(苯基甲氧基)-苯
  参考文献：
  名称：

  JOHNSON, M. R.;MELVIN, L. S. ,, JR.

  摘要：

  DOI：
• 作为产物：
  描述：

  1-(3-benzyloxyphenyl)-1-chloro-1-methylheptane 生成 1-(3-benzyloxyphenyl)-1,1-dimethylheptane
  参考文献：
  名称：

  MELVIN, L. S. ,, JR

  摘要：

  DOI：

文献信息

• Pharmacologically active
  申请人：Pfizer Inc.

  公开号：US04285867A1

  公开（公告）日：1981-08-25

  Compounds having the formula ##STR1## wherein ##STR2## R.sub.1 is hydrogen, benzyl or alkanoyl, X is C.sub.2-4 alkylene; and Z-W is alkyl, phenylalkyl or pyridylalkyl which can have an oxygen atom as part of the alkyl chain and their use as CNS agents, antidiarrheals and antiemetics. Processes for their preparation and intermediates therefor are described.

  具有以下化学式的化合物##STR1##其中##STR2##R.sub.1为氢、苄基或烷酰基，X为C.sub.2-4烷基；Z-W为烷基、苯基烷基或吡啶基烷基，其中烷基链中可能含有氧原子，并且它们作为中枢神经系统药物、止泻药和止吐药的用途。描述了它们的制备过程和中间体。
• Intermediates for making 1-(3-benzyloxyphenyl)-1,1-dimethylheptane
  申请人：Pfizer Inc.

  公开号：US04360700A1

  公开（公告）日：1982-11-23

  Process for making 1-(3-benzyloxyphenyl)-1,1-dimethylheptane, a valuable intermediate for the preparation of analgesic agents, which comprises benzylation of 3-hydroxyacetophenone to produce 3-benzyloxyacetophenone which is converted to 1-(3-benzyloxyphenyl)-1-methylheptan-1-ol via Grignard reaction with n-hexylmagnesium bromide; chlorination of said heptanol by reaction with hydrogen chloride followed by methylation of the thus-produced 1-(3-benzyloxyphenyl)-1-chloro-1-methylheptane with trimethylaluminum.

  制备镇痛剂的有价中间体1-(3-苄氧基苯基)-1,1-二甲基庚烷的过程包括以下步骤：将3-羟基苯乙酮苄化，制得3-苄氧基苯乙酮，然后通过与正己基溴化镁的Grignard反应将其转化为1-(3-苄氧基苯基)-1-甲基庚醇；将该庚醇通过与氢氯酸反应进行氯化，随后使用三甲基铝甲基化所得的1-(3-苄氧基苯基)-1-氯-1-甲基庚烷进行甲基化。
• 4-(Substituted phenyl)-naphthalen-2(1H)-ones and 2-ols, processes for their preparation, and pharmaceutical compositions containing them
  申请人：PFIZER INC.

  公开号：EP0049953A2

  公开（公告）日：1982-04-21

  Compounds having the formula wherein A when taken individually is hydrogen; B when taken individually is hydroxy or alkanoyloxy having from one to five carbon atoms; A and B when taken together are oxo; R, is hydrogen, benzyl, or R1' wherein R1' is alkanoyl having from one to five carbon atoms, P(O) (OH)2 and mono-and disodium and potassium salts thereof, -CO(CH2)2COOH and the sodium and potassium salts thereof, or -CO(CH2)pNR4R5 wherein p is 0 or an integer from 1 to 4, each of R4 and R5 when taken individually is hydrogen or alkyl having from one to four carbon atoms; R4 and R5 when taken together with the nitrogen to which they are attached are piperidino, pyrrolo, pyrrolidino, morpholino or N-alkylpiperazino having from one to four carbon atoms in the alkyl group; R2 when taken individually is hydrogen; R3 when taken individually is hydrogen, methyl, hydroxy, hydroxymethyl, -OR,' or -CH2OR1'; R2 and R3 when taken together are oxo, methylene or alkylenedioxy having from two to four carbon atoms; W is hydrogen, pyridyl, or wherein W, is hydrogen, chloro or fluoro; when W is hydrogen, Z is (a) alkylene having from five to thirteen carbon atoms; or (b) -lalk1)m-O-(alk2)n- wherein each of (alk,) and (alk2) is alkylene having from one to thirteen carbon atoms; each of m and n is 0 or 1; with the provisos that the summation of carbon atoms in (alk1) plus (alk2) is not less than five or greater than thirteen; and at least one of m and n is 1; when W is other than hydrogen, Z is (a) alkylene having from three to eight carbon atoms; or (b) -(elk1)m-O-(alk2)n- wherein each of (alk1) and (alk2) is alkylene having from one to eight carbon atoms; each of m and n is 0 or 1; with the provisos that the summation of carbon atoms in (alk,) plus (alk2) is not less than three or greater than eight; and at least one of m and n is 1; or a pharmaceutically acceptable acid addition salt of those compounds wherein R, is -CO(CH2)pNR4R5 and/or W is pyridyl; pharmaceutical compositions containing them, and processes for their preparation. The compounds are particularly useful in the treatment of nausea and as analgesics.

  具有以下式子的化合物 其中 A 单独取值时为氢；B 单独取值时为具有 1 至 5 个碳原子的羟基或烷酰氧基； A 和 B 合在一起时为氧代； R，是氢、苄基或 R1'，其中 R1'是具有 1 至 5 个碳原子的烷酰基、P(O) (OH)2 及其单钠盐、二钠盐和钾盐、-CO(CH2)2COOH 及其钠盐和钾盐，或-CO(CH2)pNR4R5，其中 p 是 0 或 1 至 4 的整数，R4 和 R5 单独使用时各自是氢或具有 1 至 4 个碳原子的烷基；R4 和 R5 与它们所连接的氮一起为哌啶基、吡咯基、吡咯烷基、吗啉基或 N-烷基哌嗪基，烷基中含有 1 至 4 个碳原子； R2 单独使用时为氢 R3 单独为氢、甲基、羟基、羟甲基、-OR、'或-CH2OR1'；R2 和 R3 合在一起为具有 2 至 4 个碳原子的氧代、亚甲基或亚烷基二氧基； W 是氢、吡啶基或 其中 W 是氢、氯或氟； 当 W 是氢时，Z 是 (a) 具有 5 至 13 个碳原子的亚烷基；或 (b) -lalk1)m-O-(alk2)n- 其中(alk,)和(alk2)各自为具有一至十三个碳原子的亚烷基；m 和 n 各自为 0 或 1；但前提是(alk1)和(alk2)中碳原子的总和不小于五个或大于十三个；且 m 和 n 中至少有一个为 1； 当 W 不是氢时，Z 是 (a) 具有三至八个碳原子的亚烷基；或 (b) -(elk1)m-O-(alk2)n- 其中(alk1)和(alk2)各为具有 1 至 8 个碳原子的亚烷基；m 和 n 各为 0 或 1；但前提是(alk,)加(alk2)中碳原子的总和不小于 3 或大于 8；且 m 和 n 中至少有一个为 1； 或这些化合物的药学上可接受的酸加成盐，其中 R, 是-CO(CH2)pNR4R5 和/或 W 是吡啶基；含有这些化合物的药物组合物及其制备工艺。这些化合物特别适用于治疗恶心和镇痛。
• JOHNSON, MICHAEL R.;MELVIN, LAWRENCE S. (JR)
  作者：JOHNSON, MICHAEL R.、MELVIN, LAWRENCE S. (JR)

  DOI：——

  日期：——
• JOHNSON, MICHAEL;MELVIN, LAWRENCE (JR. )
  作者：JOHNSON, MICHAEL、MELVIN, LAWRENCE (JR. )

  DOI：——

  日期：——