2-氯-4,6-二甲基-苯酚 | 6641-04-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2-氯-4,6-二甲基-苯酚
• 英文名称: 2-chloro-4,6-dimethylphenol
• 英文别名: 6-chloro-2,4-dimethylphenol；2-chloro-4,6-dimethyl-phenol；5-Chlor-4-hydroxy-m-xylol；2-Chlor-4,6-dimethyl-phenol；5-Chlor-4-oxy-1.3-dimethyl-benzol；6-Chlor-asymm.-m-xylenol
• CAS: 6641-04-9
• 化学式: C₈H₉ClO
• 分子量: 156.612
• InChiKey: UYQJDLQDEOPDJX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

安全信息

• 海关编码：
  2908199090

反应信息

• 作为反应物：
  描述：

  2-氯-4,6-二甲基-苯酚 在 氯 作用下， 以 二氯甲烷 为溶剂， 反应 20.0h， 生成 2,4-dichloro-4,6-dimethylcyclohexa-2,5-dienone
  参考文献：
  名称：

  Bergquist, Karl-Erik; Nilsson, Anders; Ronlan, Alvin, Acta chemica Scandinavica. Series B: Organic chemistry and biochemistry, 1982, vol. 36, # 10, p. 675 - 684

  摘要：

  DOI：
• 作为产物：
  描述：

  2,4-二甲基苯酚 在 氯 作用下， 以 二硫化碳 为溶剂， 生成 2-氯-4,6-二甲基-苯酚
  参考文献：
  名称：

  Bergquist, Karl-Erik; Nilsson, Anders; Ronlan, Alvin, Acta chemica Scandinavica. Series B: Organic chemistry and biochemistry, 1982, vol. 36, # 10, p. 675 - 684

  摘要：

  DOI：

文献信息

• HIV protease inhibiting compounds
  申请人：Flentge Charles A.

  公开号：US20110003827A1

  公开（公告）日：2011-01-06

  A compound of the formula is disclosed as an HIV protease inhibitor. Methods and compositions for inhibiting an HIV infection are also disclosed.

  公开了一种具有以下公式的化合物，作为HIV蛋白酶抑制剂。还公开了抑制HIV感染的方法和组合物。
• OPTICAL RECORDING MEDIUM AND COMPOUND USED FOR THE SAME
  申请人：SHIOZAKI Hiroyoshi

  公开号：US20090306376A1

  公开（公告）日：2009-12-10

  A compound comprising a ring structure including a ring composed of four carbon atoms and two nitrogen atoms and a substituted or unsubstituted amino group bonded to the ring structure.

  一种化合物，包括一个环结构，其中包括由四个碳原子和两个氮原子组成的环，以及与环结构相结合的取代或未取代的氨基团。
• Ethers and thioethers of kojic acid and preparation thereof
  申请人：RHONE POULENC SA

  公开号：US02865930A1

  公开（公告）日：1958-12-23

  The invention comprises compounds of the formula <;FORM:0781413/IV (a)/1>; where R is alkyl, X is O or NH, Y is O or S, and Ar is aryl, which may have one or more alkyl, alkoxy, hydroxyalkyl, nitro or halogen substituents; the alkyl and alkoxy groups have not more than 4 carbon atoms. The compounds are prepared (1) by the action of H-Y-Ar on the appropriate pyrones or pyridones having a -CH2Z substituent where Z is a reactive ester group such as halide, sulphuric or sulphonic ester, preferably in a solvent at 50-100 DEG C. in the presence of a basic condensing agent, or (2) by the alkylation of the corresponding 5-hydroxy compounds. In addition the pyridones may be made from the pyrones by heating with ammonia. Examples show the preparation by method (1) of 2-aryloxymethyl-5 - methoxy - 4 - pyrones where aryl group is phenyl, b -naphthyl, and the following substituted phenyl groups:-chloro (3 isomers), 2:4-dichloro, 2:4:6-trichloro, pentachloro, methyl (3 isomers), dimethyl (6 isomers), 2:4:6-trimethyl, 2-methyl-4- and -6-chloro, 3-methyl-4-chloro, 4-methyl-2-chloro, 2-methyl-4:6-dichloro, 4 - methyl - 2:6 - dichloro, 2:4 - dimethyl-6-chloro, 3:5-dimethyl-4-chloro, 4-isopropyl, 4-cyclohexyl, 2- and 4-nitro, 2-methylol, 2:4 - dichloro - 6 - methylol, 2 - chloro - 4:6 - dimethylol, 4 - chloro - 2:6 - dimethylol, 4 - methyl - 2 - methylol, 4 - methyl - 2:6 - dimethylol, 2:5 - dimethyl - 4 - methylol, 3:4 - dimethyl - 6 - methylol, 3 - methoxy, and 2 - methoxy-4-, -5- and -6-methyl; also 2-(21-methylolphenoxymethyl) - 5 - ethoxy - 4 - pyrone and 2-(41-chlorophenylthiomethyl) - 5 - methoxy-4-pyrone. I further examples 2-(41 chlorophenoxymethyl) - 5 - methoxy - 4 - pyridone (hydrochloride described) and 2-(21-methyl - 61 - chlorophenoxymethyl) - 5 - methoxy-4-pyridone are made from the corresponding pyrones and ammonia. It is also stated that Ar may also be ethylphenyl, ethoxyphenyl or hydroxy-ethyl-phenyl.ALSO:Compositions for use as plant growth regulants contain as active ingredient a compound of the formula: <;FORM:0781413/I/1>; where R is alkyl, X is O or NH, Y is O or S and Ar is aryl which may have one or more alkyl, alkoxy, hydroxyalkyl, nitro or halogen substituents; the alkyl and alkoxy groups have not more than 4 carbon atoms. The compositions may be in the form of powders, sprays, aerosols, emulsions or solutions in organic or aqueous organic solvents. There may also be present wetting agents, synergists and other plant growth regulants. In an example 2-(21 : 41-dichlorophenoxymethyl)-5-methoxy-4-pyrone is dissolved in dimethylformamide and diluted with water to give a solution which enhances root formation when plant stems are soaked with it. Many other suitable compounds are mentioned.ALSO:Compositions for use as systemic fungicides or herbicides contain as essential ingredient a compound of the formula <;FORM:0781413/VI/1>; where R is alkyl, X is O or NH, Y is O or S and Ar is aryl which may have one or more alkyl, alkoxy, hydroxyalkyl, nitro or halogen substituents; the alkyl and alkoxy groups have not more than 4 carbon atoms. The compositions may be in the form of powders, sprays, aerosols, emulsions or solutions in organic or aqueous organic solvents. There may also be present wetting agents, synergists, and other plant-growth regulants or fungicides. In examples, fungicides are made of (1) 2-(21-methyl - 41 - chlorophenoxymethyl) - 5 - methoxy-4-pyrone dispersed in water with the aid of a wetting agent; and (2) 2-(31:51-dimethylphenoxy - methyl) - 5 - methoxy - 4 - pyrone and talc similarly dispersed; herbicides are made from (3) 2-(2-(21:41-dichlorophenoxymethyl) - 5 - methoxy - 4 - pyrone; and (4) 2-(41 - chlorophenoxymethyl) - 5 - methoxy - 4-pyrone, in each case dissolved in toluene and acetone and dispersed in water with the aid of a wetting agent. Many other suitable compounds are mentioned.

  该发明包括以下公式的化合物：其中R为烷基，X为O或NH，Y为O或S，Ar为芳基，可能具有一个或多个烷基、烷氧基、羟基烷基、硝基或卤素取代基；烷基和烷氧基基团的碳原子数不超过4。这些化合物通过以下方法制备：（1）在适当的吡喃酮或吡啶酮上作用H-Y-Ar，其中吡喃酮或吡啶酮具有一个-CH2Z取代基，其中Z是反应性酯基，如卤化物、硫酸酯或磺酸酯，最好在50-100摄氏度的溶剂中，在碱性缩合剂的存在下进行，或者（2）通过对应的5-羟基化合物的烷基化制备。此外，吡啶酮可以通过与氨加热制备。示例表明，通过方法（1）制备了2-芳氧基甲基-5-甲氧基-4-吡喃，其中芳基为苯基、β-萘基，以及以下取代苯基：氯（3个异构体）、2,4-二氯、2,4,6-三氯、五氯、甲基（3个异构体）、二甲基（6个异构体）、2,4,6-三甲基、2-甲基-4-和-6-氯、3-甲基-4-氯、4-甲基-2-氯、2-甲基-4,6-二氯、4-甲基-2,6-二氯、2,4-二甲基-6-氯、3,5-二甲基-4-氯、4-异丙基、4-环己基、2-和4-硝基、2-甲基醇、2,4-二氯-6-甲基醇、2-氯-4,6-二甲基醇、4-氯-2,6-二甲基醇、4-甲基-2-甲基醇、4-甲基-2,6-二甲基醇、2,5-二甲基-4-甲基醇、3,4-二甲基-6-甲基醇、3-甲氧基、2-甲氧基-4-, -5-和-6-甲基；还有2-(21-甲基醇苯氧基甲基)-5-乙氧基-4-吡喃和2-(41-氯苯硫醚基甲基)-5-甲氧基-4-吡喃。另外还有一些其他化合物的例子。
• Sustainable electrochemical dehydrogenative C(sp³)–H mono/di-alkylations
  作者：Jin-Yu He、Wei-Feng Qian、Yan-Zhao Wang、Chaochao Yao、Nana Wang、Huilin Liu、Bing Zhong、Cuiju Zhu、Hao Xu

  DOI：10.1039/d1gc04479f

  日期：——

  Catalyst-free, direct electrooxidative phenol derivatives C(sp3)–H mono- and di-alkylation reaction have been developed. In contrast to previous typical oxidative and electrochemical coupling, this electrosynthetic approach enables selective mono- and di-alkylations through metal- and external oxidant-free mild conditions via easily available electrodes. Advances of this strategy were proven by an

  已经开发了无催化剂的直接电氧化苯酚衍生物 C(sp 3 )-H 单烷基化和二烷基化反应。与以前典型的氧化和电化学耦合相比，这种电合成方法能够通过金属和外部无氧化剂的温和条件通过选择性单烷基化和二烷基化容易获得的电极。该策略的进步通过无与伦比的广泛底物范围来有效地形成 C-C、C-N、C-O 键以及出色的位点和区域选择性得到证明。电化学选择性烷基化不需要额外的电解质，可以以克级进行，并通过级联电氧化脱氢提供烯酮产物，这突出了进一步后期多样化的显着潜力。详细的机理研究可以描述单烷基化和二烷基化事件产生的确切概况。
• Olefin polymerization catalyst system useful for polar monomers
  申请人：Baugh Sauders Lisa

  公开号：US20070197751A1

  公开（公告）日：2007-08-23

  This invention relates to copolymers produced by a polymerization method comprising contacting at least one olefin monomer, at least one polar monomer, an optional activator, and a catalyst compound represented by the formula: wherein M is selected from groups 3-11 of the periodic table; L 1 represents a formal anionic ligand, L 2 represents a formal neutral ligand, a is an integer greater than or equal to 1; b is greater than or equal to 0; c is greater than or equal to 1, E is nitrogen or phosphorus, Ar 0 is arene, R 1 -R 4 are, each independently, selected from hydrogen, hydrocarbyl, substituted hydrocarbyl or functional group, provided however that R 3 and R 4 do not form a naphthyl ring, N is nitrogen and O is oxygen.

  本发明涉及通过聚合方法制备的共聚物，该方法包括接触至少一种烯烃单体、至少一种极性单体、可选的活化剂和催化剂化合物。该催化剂化合物的化学式为：其中M从周期表的3-11组中选择；L1表示正离子配体，L2表示中性配体，a是大于等于1的整数；b大于等于0；c大于等于1；E是氮或磷，Ar0是芳烃，R1-R4分别选择自氢、烃基、取代烃基或功能基，但R3和R4不形成萘环，N是氮，O是氧。