(+/-)-5,7-Dimethyl-1-tetralol | 201655-90-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 四氢化萘
• 英文名称: (+/-)-5,7-Dimethyl-1-tetralol
• 英文别名: 1,2,3,4-tetrahydro-5,7-dimethylnaphthalen-1-ol；(Rac)-5,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-ol；5,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-ol
• CAS: 201655-90-5
• 化学式: C₁₂H₁₆O
• 分子量: 176.258
• InChiKey: RIRIMDYRPXOLHI-UHFFFAOYSA-N

物化性质

• 熔点：
  79.0-80.0 °C
• 沸点：
  307.3±11.0 °C(Predicted)
• 密度：
  1.063±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  (+/-)-5,7-Dimethyl-1-tetralol 在 acid 作用下， 生成 6,8-dimethyl-1,2-dihydronaphthalene
  参考文献：
  名称：

  光学活性锰(III)配合物催化未官能化烯烃与分子氧和醛的对映选择性环氧化

  摘要：

  结合使用分子氧、氧化剂和新戊醛（一种还原剂）对未官能化烯烃的对映选择性环氧化反应在催化量的...

  DOI：

  10.1246/cl.1992.2231
• 作为产物：
  描述：

  5,7-二甲基-1-萘满酮 在 sodium tetrahydroborate 作用下， 生成 (+/-)-5,7-Dimethyl-1-tetralol
  参考文献：
  名称：

  光学活性锰(III)配合物催化未官能化烯烃与分子氧和醛的对映选择性环氧化

  摘要：

  结合使用分子氧、氧化剂和新戊醛（一种还原剂）对未官能化烯烃的对映选择性环氧化反应在催化量的...

  DOI：

  10.1246/cl.1992.2231

文献信息

• Enantioselective Epoxidation of Unfunctionalized Olefins with Molecular Oxygen and Aldehyde Catalyzed by Optically Active Manganese(III) Complexes
  作者：Tohru Yamada、Kiyomi Imagawa、Takushi Nagata、Teruaki Mukaiyama

  DOI：10.1246/cl.1992.2231

  日期：1992.11

  Enantioselective epoxidation of unfunctionalized olefins with combined use of molecular oxygen, an oxidant, and pivalaldehyde, a reductant, was demonstrated in the presence of a catalytic amount of...

  结合使用分子氧、氧化剂和新戊醛（一种还原剂）对未官能化烯烃的对映选择性环氧化反应在催化量的...
• Sustainable Flow Oppenauer Oxidation of Secondary Benzylic Alcohols with a Heterogeneous Zirconia Catalyst
  作者：Rajeev Chorghade、Claudio Battilocchio、Joel M. Hawkins、Steven V. Ley

  DOI：10.1021/ol4027107

  日期：2013.11.15

  A flow chemistry process for the Oppenauer oxidation of benzylic secondary alcohols using partially hydrated zirconium oxide and a simple carbonyl containing oxidant such as acetone, cyclohexanone, and neopentanal is reported. The heterogeneous oxidative system could be applied to a wide range of functionalized alcohol substrates, allowing clean and fast delivery of ketone products within a few minutes between 40 and 100 degrees C.
• US6750243B1
  申请人：——

  公开号：US6750243B1

  公开（公告）日：2004-06-15
• Enzymatic resolution of α-tetralols by CALB-catalyzed acetylation
  作者：Helena M.C. Ferraz、Graziela G. Bianco、Carla C. Teixeira、Leandro H. Andrade、André L.M. Porto

  DOI：10.1016/j.tetasy.2007.05.007

  日期：2007.5

  A series of homochiral alpha-tetralols, as well as their respective acetates, has been obtained by esterification of racemic tetralols, using Candida antarctica lipase (CALB-Novozym(R) 435) as the biocatalyst. This enzyme is shown to be highly efficient for the kinetic resolution of the substrates studied, affording the (+)-tetralols and the (+)-acetates in excellent enantiomeric excess (up to >99%) and very good yields (>40%). (C) 2007 Elsevier Ltd. All rights reserved.
• Benzoquinazoline inhibitors of thymidylate synthase: enzyme inhibitory activity and cytotoxicity of some 3-amino- and 3-methylbenzo[f]quinazolin-1(2H)-ones
  作者：William Pendergast、Jay V. Johnson、Scott H. Dickerson、Inderjit K. Dev、David S. Duch、Robert Ferone、William R. Hall、Joan Humphreys、Joseph M. Kelly、David C. Wilson

  DOI：10.1021/jm00068a004

  日期：1993.8

  The synthesis and thymidylate synthase (TS) inhibitory activity of a series of simple benzo-[f]-quinazolin-1(2H)-ones are described. Fully aromatic 3-amino compounds with compact lipophilic substituents in the 9-position were found to have I50 values as low as 20 nM on the isolated enzyme, and represent the first examples of potent, folate-based TS inhibitors that completely lack any structural feature corresponding to the (p-aminobenzoyl)glutamate moiety of the cofactor. A number of the compounds also showed moderate growth inhibitory activity against a human colon adenocarcinoma cell line (SW480), with IC50 values as low as 2 muM.