2-formyl-α-tetralone | 863323-48-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 2-formyl-α-tetralone
• 英文别名: 2-formyl-1-tetralone
• CAS: 863323-48-2
• 化学式: C₁₁H₁₀O₂
• mdl: MFCD24393811
• 分子量: 174.199
• InChiKey: KECHTWFOSGWGHU-UHFFFAOYSA-N

物化性质

• 沸点：
  337.8±42.0 °C(Predicted)
• 密度：
  1.349±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.67
• 重原子数：
  13.0
• 可旋转键数：
  1.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.181
• 拓扑面积：
  37.3
• 氢给体数：
  1.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  methyltetrakis(trimethylphosphine)cobalt(I) 、 2-formyl-α-tetralone 以 正戊烷 为溶剂， 以73%的产率得到mer-hydrido-(1-carbonyl-2-oxo-3,4-benzocyclohexenediyl)tris(trimethylphosphane)cobalt(III)
  参考文献：
  名称：

  Klein, Hans-Friedrich; Haller, Stefan; Sun, Hongjian, Zeitschrift fur Naturforschung, B: Chemical Sciences, 1998, vol. 53, # 5-6, p. 587 - 598

  摘要：

  DOI：
• 作为产物：
  描述：

  N,N-二甲基甲酰胺 、 3,4-二氢-1(2H)-萘酮 在 三氯氧磷 作用下， 反应 1.0h， 以53%的产率得到2-formyl-α-tetralone
  参考文献：
  名称：

  1-氯-2-甲酰基茚满和四烯作为抗结核药

  摘要：

  1-氯-2-甲酰基茚满和四烯已使用Vilsmeier-Haack-Arnold反应合成了茚满酮和四氢萘酮。这些类似物中的大多数对MIC范围为30至500μg/ mL的结核分枝杆菌H37Rv菌株均表现出抗结核活性。类似物13被进一步修饰成一些衍生物。在瑞士的白化病小鼠中，进一步评估了显示MIC为30μg/ mL的最具活性的类似物23的急性口服毒性，发现最高300 mg / kg的剂量是安全的。

  DOI：

  10.1016/j.bmcl.2011.05.016

文献信息

• Living ring-opening homo- and copolymerisation of ε-caprolactone and<scp>l</scp>-lactide by cyclic β-ketiminato aluminium complexes
  作者：Yan Liu、Wei-Shi Dong、Jing-Yu Liu、Yue-Sheng Li

  DOI：10.1039/c3dt52712c

  日期：——

  A series of novel aluminium complexes containing cyclic β-ketiminato ligands of type Me2AlO-[(ArNCHC4H4(C6H4))]} (3a, Ar = 2,6-iPr2C6H3; 3b, Ar = C6H5; 3c, Ar = C6F5) have been prepared in high yields. These complexes were identified by 1H, 13C NMR spectroscopy and elemental analysis. X-ray structural analyses for 3a–c revealed that these complexes have a distorted tetrahedral geometry around Al, and both bond distances and bond angles were considerably influenced by the ligand structure. These complexes were tested as catalyst precursors for ring-opening polymerisation of ε-caprolactone (ε-CL) and L-lactide (L-LA) in the presence of 2-propanol as an initiator. Complex 3a could polymerize ε-CL in a controlled manner with high efficiency. Based on the living characteristics, the preparation of well-defined block copolymers PCL-b-PLLA via sequential addition of monomers was performed by 3a. Note that complex 3c exhibited rather high catalytic activity for the ROP of L-LA with narrow molecular weight distribution. The monomer conversion reached completion only in 4 h when the L-LA/Al molar ratio was 100 at 80 °C. PLLA-b-PCL copolymers were thus easily produced by 3c.

  一系列新型铝配合物以Me2AlO-[(ArNCHC4H4(C6H4))]}（3a，Ar = 2,6-iPr2C6H3；3b，Ar = C6H5；3c，Ar = C6F5）为环状β-酮亚胺型配体，制备得率很高。这些配合物通过1H、13C NMR光谱和元素分析进行鉴定。3a-c的X射线结构分析显示，这些配合物在铝周围具有扭曲的四面体几何结构，键长和键角均受到配体结构的影响。这些配合物作为催化剂前体，在2-丙醇作为引发剂的情况下，对ε-己内酯（ε-CL）和L-乳酸（L-LA）的环开环聚合进行了测试。配合物3a能够以可控的方式高效地聚合ε-CL。基于其活性，通过3a依次添加单体，制备了结构明确的嵌段共聚物PCL-b-PLLA。值得注意的是，配合物3c对分子量分布较窄的L-LA的ROP表现出相当高的催化活性。当L-LA/Al的摩尔比为100，温度为80°C时，单体转化仅在4小时内完成。因此，3c很容易生产出PLLA-b-PCL共聚物。
• Synthesis of dimethylcobalt(III) complexes containing trimethylphosphine and 2-formyl-phenolato- or 2-formyl-enolato(O:O) ligands
  作者：Xiaoyan Li、Hongjian Sun、Alexandra Brand、Hans-Friedrich Klein

  DOI：10.1016/j.ica.2005.05.016

  日期：2005.8

  Substituted salicylaldehydes [(C6HRRR3)-R-1-R-2(CHO)(OH)] react with CoMe3(PMe3)(3) to afford 6-coordinate (cis-dimethyl)(2-formyl-phenolato)trans-bis(trimethylphosphine)cobalt(III) compounds CO[(C6HRRR3)-R-1-R-2 (CHO)(O)Me-2](PMe3)(2) (1: R-1 = H; R-2 = Me; R-3 = tert-Bu; 2: R-1, R-2 = C6H4; R-3 = H). Accordingly, substituted enolated malonic dialdehydes (CHO-CR4 = CR5-OH) react with CoMe3(PMe3)(3) to afford 6-coordinate (cis-dimethyl)(2-formyl-enolato)trans-bis(trimethylphosphine)cobalt(III) compounds Co((CHO-CR4=CR5-O)(Me)(2)](PMe3)(2) (3: R-4, R-5 = (CH2)(2)C6H4; 4: R-4 = R-5 = C6H5). In the molecular structure of 4, the cobalt atom is centred in an octahedral coordination geometry brought about by a six-membered chelate ring (O:O-ligand), cis-dimethyl and trans-trimethylphosphine groups. A reaction mechanism is suggested. (c) 2005 Elsevier B.V. All rights reserved.
• DOPAMINE RECEPTOR SUBTYPE LIGANDS
  申请人：MERCK SHARP & DOHME LTD.

  公开号：EP0665840A1

  公开（公告）日：1995-08-09
• US5670522A
  申请人：——

  公开号：US5670522A

  公开（公告）日：1997-09-23
• [EN] DOPAMINE RECEPTOR SUBTYPE LIGANDS<br/>[FR] LIGANDS POUR LES SOUS-TYPES DE RECEPTEURS DE DOPAMINE
  申请人：MERCK SHARP & DOHME LIMITED

  公开号：WO1994010162A1

  公开（公告）日：1994-05-11

  (EN) Fused tricyclic heteroaromatic compounds of formula (I) wherein one of X and Y represents nitrogen, and the other of X and Y represents oxygen, sulphur or N-R2; Q represents a substituted five- or six- membered monocyclic heteroaliphatic ring which contains one nitrogen atom as the sole heteroatom and is linked to the five-membered heteroatomic ring containing the moieties X and Y via a carbon atom as well as substituted 3,4-dihydro-1-hydroxy-2-oxomethyl-naphthalene precursors thereto, are ligands for dopamine receptor subtypes within the body and are therefore useful in the treatment of disorders of the dopamine system, in particular schizophrenia.(FR) Des composés hétéroaromatiques tricycliques fusionnés de formule (I), où de X et Y l'un représente azote, et l'autre représente oxygène, soufre ou N-R2, Q représente un cycle hétéroaliphatique monocyclique à cinq ou six membres, contenant un atome d'azote comme le seul hétéroatome et lié au cycle hétéroatomique à cinq branches contenant les fractions X et Y par l'intermédiaire d'un atome de carbone, ainsi que leurs précurseurs substitués de 3,4-dihydro-1-hydroxy-2-oxométhyl-naphtalène, sont des ligands pour les sous-types de récepteurs de dopamine dans le corps, et s'avèrent donc utiles pour le traitement des troubles du système dopamine, et en particulier pour le traitement de la schizophrénie.