1-hydroxy-6-methoxy-2,2-dimethyl-1,2,3,4-tetrahydronaphthalene | 85932-35-0

• 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-hydroxy-6-methoxy-2,2-dimethyl-1,2,3,4-tetrahydronaphthalene
• 英文别名: 2,2-dimethyl-1-hydroxy-6-methoxy-1,2,3,4-tetrahydronaphthalene；2,2-dimethyl-6-methoxytetral-1-ol；6-methoxy-2,2-dimethyl-1,2,3,4-tetrahydronaphthalen-1-ol；6-methoxy-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-ol
• CAS: 85932-35-0
• 化学式: C₁₃H₁₈O₂
• 分子量: 206.285
• InChiKey: IRUCDAJYGIAFTE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  29.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-hydroxy-6-methoxy-2,2-dimethyl-1,2,3,4-tetrahydronaphthalene 在 dipotassium peroxodisulfate 、 叔丁醇 作用下， 以 水 为溶剂， 生成 6-methoxy-2,2-dimethyl-3,4-dihydronaphthalen-1(2H)-one
  参考文献：
  名称：

  The role of oxygen acidity on the side-chain fragmentation of ring methoxylated benzocycloalkenol radical cations

  摘要：

  The reactivity of 2,2-dimethyl-5-methoxyindan-1-ol (1) and 2,2-dimethyl-6-methoxytetral-2-ol (2) radical cations has been studied both in acidic and basic solution. At pH less than or equal to 4 both 1(.+) and 2(.+) undergo C-alpha-H deprotonation as the exclusive reaction with k = 4.6 x 10(4) and 3.2 x 10(4) s(-1), respectively. In basic solution 1(.+) and 2(.+) behave as oxygen acids undergoing -OH-induced alpha-OH deprotonation in a diffusion controlled process (k(-OH) approximate to 10(10) M-1 s(-1)). An intermediate alkoxyl radical is formed which undergoes a 1,2-hydrogen atom shift in competition with C-C beta-scission (with 1(.+)) or as the exclusive pathway (with 2(.+)). A behavior which is interpreted in terms of the greater ease of ring-opening of a five membered ring as compared to a six-membered one. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(03)01620-4
• 作为产物：
  描述：

  6-methoxy-2,2-dimethyl-3,4-dihydronaphthalen-1(2H)-one 在 红铝 作用下， 以 苯 为溶剂， 反应 2.0h， 以85%的产率得到1-hydroxy-6-methoxy-2,2-dimethyl-1,2,3,4-tetrahydronaphthalene
  参考文献：
  名称：

  的合成顺式-6,6,9-三甲基- Δ 3,4 -octalin -2-酮和顺-6,9-二甲基-6-甲酯基Δ 3,4 -octalin -2-酮：潜在德合成子为五环三萜的构建

  摘要：

  已经从容易获得的6-甲氧基-2-萘甲酸中报道了作为五环三萜，DE-amyrin和甘草次酸的环DE的前体的双环烯酮（1和2）的合成。

  DOI：

  10.1016/0040-4020(82)80115-4

文献信息

• Synthesis of cis-6,6,9-trimethyl-Δ3,4-octalin-2-one and cis-6,9-dimethyl-6-carbomethoxy-Δ3,4-octalin-2-one
  作者：A. Radha Krishna Murthy、G.S.R. Subba Rao

  DOI：10.1016/0040-4020(82)80115-4

  日期：1982.1

  Synthesis of the bicyclic enones (1 and 2) which are precursors for the rings DE of the pentacyclic triterpenes, β-amyrin and glycyrrhetinic acid has been reported from the readily available 6 - methoxy - 2- naphthoic acid.

  已经从容易获得的6-甲氧基-2-萘甲酸中报道了作为五环三萜，DE-amyrin和甘草次酸的环DE的前体的双环烯酮（1和2）的合成。
• SUBSTITUTED BENZOXAZOLES AND METHODS OF USE THEREOF
  申请人：CHOWDHURY Sultan

  公开号：US20160009667A1

  公开（公告）日：2016-01-14

  The invention provides compounds having the general formula (I): and pharmaceutically acceptable salts thereof, wherein the variables RA, subscript n, ring A, X 2 , L, subscript m, X 1 , R 1 , R 2 , R 3 , R 4 , and R N have the meaning as described herein, and compositions containing such compounds and methods for using such compounds and compositions.

  该发明提供了具有一般式(I)的化合物及其药学上可接受的盐，其中变量RA、下标n、环A、X2、L、下标m、X1、R1、R2、R3、R4和RN的含义如本文所述，以及包含这种化合物的组合物和使用这种化合物和组合物的方法。
• [EN] SUBSTITUTED BENZOXAZOLES AND METHODS OF USE THEREOF<br/>[FR] BENZOXAZOLES SUBSTITUÉS ET LEURS PROCÉDÉS D'UTILISATION
  申请人：GENENTECH INC

  公开号：WO2014144545A3

  公开（公告）日：2014-11-27
• Collins, David J.; Jacobs, Howard A., Australian Journal of Chemistry, 1986, vol. 39, # 12, p. 2095 - 2110
  作者：Collins, David J.、Jacobs, Howard A.

  DOI：——

  日期：——
• MURTHY, A. RADHA, KRISHNA;RAO, G. S. R. SUBBA, TETRAHEDRON, 1982, 38, N 22, 3335-3338
  作者：MURTHY, A. RADHA, KRISHNA、RAO, G. S. R. SUBBA

  DOI：——

  日期：——