4-methyl-1-tetralol | 20240-61-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 四氢化萘
• 英文名称: 4-methyl-1-tetralol
• 英文别名: 4-Methyl-1,2,3,4-tetrahydronaphthalen-1-ol
• CAS: 20240-61-3
• 化学式: C₁₁H₁₄O
• 分子量: 162.232
• InChiKey: RNJRKHAGSISOGT-UHFFFAOYSA-N

物化性质

• 熔点：
  88 °C
• 沸点：
  285.6±9.0 °C(Predicted)
• 密度：
  1.058±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.45
• 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：

  4-methyl-1-tetralol 在 palladium on activated charcoal sodium hydroxide 、 N-溴代丁二酰亚胺(NBS) 、 硫酸 、 双氧水 、 sodium ethanolate 、 草酸 、 sodium hydride 、 溶剂黄146 、 过氧化苯甲酰 作用下， 以 乙醇 、 二乙二醇二甲醚 、 苯 为溶剂， 反应 42.0h， 生成 3-amino-6-(hydroxymethyl)benzoquinazolin-1(2H)-one acetate
  参考文献：
  名称：

  Benzoquinazoline inhibitors of thymidylate synthase: enzyme inhibitory activity and cytotoxicity of some 3-amino- and 3-methylbenzo[f]quinazolin-1(2H)-ones

  摘要：

  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.

  DOI：

  10.1021/jm00068a004
• 作为产物：
  描述：

  4-甲基-3,4-二氢-2H-1-萘酮 在 氢气 作用下， 以 乙醇 为溶剂， 60.0 ℃ 、300.01 kPa 条件下， 以87%的产率得到4-methyl-1-tetralol
  参考文献：
  名称：

  固定在原始埃洛石上的镍纳米颗粒：一种出色的氢化过程催化剂

  摘要：

  一种可持续的纳米材料：纳米粘土（埃洛石）和第一排过渡金属（镍）之间的合作产生了一种多功能催化剂，允许通过加氢过程合成目标产品，同时具有显着的选择性和高效的催化剂回收。

  DOI：

  10.1002/cctc.202200775

文献信息

• Direct Oxidative Allylic and Vinylic Amination of Alkenes through Selenium Catalysis
  作者：Johanna Trenner、Christian Depken、Thomas Weber、Alexander Breder

  DOI：10.1002/anie.201303662

  日期：2013.8.19

  Bringing “N” into the game: The direct chemoselective nitrogenation of unactivated alkenes can be achieved through oxidative selenium catalysis (see scheme). This method provides a broad variety of allylic imides in yields of up to 89 % using N‐fluorobenzenesulfonimide (NFSI) as the terminal oxidant and nitrogen source. Furthermore, an unprecedented selenium‐catalyzed vinylic C(sp2)–H nitrogenation

  将“ N”带入游戏中：可以通过氧化硒催化（参见方案）实现未活化烯烃的直接化学选择氮化。使用N-氟苯磺酰亚胺（NFSI）作为末端氧化剂和氮源，此方法可提供高达89％的多种烯丙基酰亚胺。此外，还发现了前所未有的硒催化的乙烯基C（sp 2）–H氮化。
• Ruthenium(<scp>ii</scp>)-catalysed direct synthesis of ketazines using secondary alcohols
  作者：Jugal Kishore、Subramanian Thiyagarajan、Chidambaram Gunanathan

  DOI：10.1039/c9cc01383k

  日期：——

  Direct one-pot synthesis of ketazines from secondary alcohols and hydrazine hydrate catalyzed by a ruthenium pincer complex is reported, which proceeds through O–H bond activation of secondary alcohols via amine–amide metal–ligand cooperation in the catalyst. Remarkably, liberated molecular hydrogen and water are the only byproducts.

  据报道，由钌夹钳络合物催化仲醇直接从仲醇和水合肼中直接合成氯胺酮，该过程是通过仲醇通过胺-酰胺金属-配体在催化剂中的协同作用进行O-H键活化而进行的。值得注意的是，释放出的分子氢和水是唯一的副产物。
• Erogorgiaene congeners and methods and intermediates useful in the preparation of same
  申请人：The Research Foundation of State University of New York

  公开号：US07700798B1

  公开（公告）日：2010-04-20

  Disclosed are compounds having the formula: wherein R21 is an alkyl, aryl, alkoxy, hydroxy, or amino group or a halogen atom; wherein R2 is hydrogen or an alkyl, aryl, alkoxy, or amino group; wherein R23 and R24 are independently selected from hydrogen, an alkyl, aryl, alkoxy, hydroxy, or amino group, and a halogen atom or wherein R23 and R24, taken together with the carbon atom to which they are bound, form a ring; wherein R25 is hydrogen, an alkyl, aryl, alkoxy, hydroxy, or O-silyl group or a halogen atom; wherein Z, taken together with the carbons to which it is bonded, forms a 5-12 membered ring; and wherein Y is an electron withdrawing group. These compounds can be used to prepare erogorgiaene congeners, such as erogorgiaene, pseudopterosin A, helioporin E, pseudopteroxazole, colombiasin A, elisapoterosin B, elisabethadione, p-benzoquinone natural products, ileabethin, sinulobtain B, sinulobtain C, and sinulobtain D.

  揭示了具有以下结构的化合物： 其中R21是烷基、芳基、烷氧基、羟基、氨基或卤素原子；其中R2是氢或烷基、芳基、烷氧基或氨基；其中R23和R24分别独立地选自氢、烷基、芳基、烷氧基、羟基、氨基和卤素原子，或者R23和R24与它们所连接的碳原子一起形成环；其中R25是氢、烷基、芳基、烷氧基、羟基、O-硅基或卤素原子；其中Z与其连接的碳原子一起形成一个5-12环；Y是一个电子吸引基团。这些化合物可用于制备erogorgiaene同系物，如erogorgiaene、pseudopterosin A、helioporin E、pseudopteroxazole、colombiasin A、elisapoterosin B、elisabethadione、p-苯醌天然产物、ileabethin、sinulobtain B、sinulobtain C和sinulobtain D。
• Oxidative β-Halogenation of Alcohols: A Concise and Diastereoselective Approach to Halohydrins
  作者：Lingsheng Ai、Weijin Wang、Jialiang Wei、Qing Li、Song Song、Ning Jiao

  DOI：10.1055/s-0037-1610385

  日期：2019.3

  converted into various valuable blocks in organic and pharmaceutical synthesis. A diastereoselective β-halogenation of benzylic alcohols was achieved under simple and low-cost conditions, which provided a direct synthesis of β-halohydrins. The simple reaction conditions, easily available reagents, high diastereoselectivities, and additional oxidant-free make this reaction very attractive and practical

  带有可转化卤素和羟基的 β-卤代醇在有机和药物合成中很容易转化为各种有价值的嵌段。在简单且低成本的条件下实现了苯甲醇的非对映选择性 β-卤化，这提供了 β-卤代醇的直接合成。简单的反应条件、容易获得的试剂、高非对映选择性和额外的无氧化剂使该反应非常有吸引力和实用。
• UREA DERIVATIVES AND THEIR THERAPEUTIC USE IN THE TREATMENT OF, INTER ALIA, DISEASES OF THE RESPIRATORY TRACT
  申请人：Woo Chi-Kit

  公开号：US20130143914A1

  公开（公告）日：2013-06-06

  Compounds of formula (I) are p38 MAPK inhibitors, useful as anti-inflammatory agents in the treatment of, inter alia, diseases of the respiratory wherein R 1 is a radical of formula (IA) or (IB) or (IC): 10 Y is -0- or —S(0) p - wherein p is 0, 1 or 2; A is an optionally substituted cycloalkylene radical having 5, 6 or 7 ring atoms fused to a phenyl ring; and R 2 , R3b and R4b are as defined in the claims.

  式(I)的化合物是p38 MAPK抑制剂，在治疗呼吸系统疾病等炎症疾病中作为抗炎药物有用，其中R1是式(IA)或(IB)或(IC)的基团：Y是-0-或-S(0)p-，其中p为0、1或2；A是一个有5、6或7个环原子与苯环融合的可选择取代的环烷基基团；而R2、R3b和R4b如权利要求中所定义。