3,5-二甲基苯酚钠 | 37621-81-1

• 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: 3,5-二甲基苯酚钠
• 英文名称: sodium 3,5-dimethylphenolate
• 英文别名: sodium 3,5-dimethylphenoxide；3,5-dimethyl-phenol; sodium salt；Natrium-(3.5-dimethyl-phenolat)；sodium;3,5-dimethylphenolate
• CAS: 37621-81-1
• 化学式: C₈H₉O*Na
• 分子量: 144.149
• InChiKey: LVIHFRIFQYCEGK-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -1.62
• 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：
  23.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  3,5-二甲基苯酚钠 在 二氧化碳 、 甲苯 作用下， 生成 2,4-二甲基-6-羟基苯甲酸
  参考文献：
  名称：

  Palfray; Metayer, Bulletin de la Societe Chimique de France, 1948, p. 956,957

  摘要：

  DOI：
• 作为试剂：
  描述：

  3,5-二甲基苯酚 在 3,5-二甲基苯酚钠 、 镍 作用下， 170.0 ℃ 、14.71 MPa 条件下， 生成 phenyl-carbamic acid (1alpha,3alpha,5alpha)-3,5-dimethyl-cyclohexyl ester
  参考文献：
  名称：

  The Effect of Bases on the Hydrogenation of Alkylphenols in the Presence of Raney Nickel

  摘要：

  DOI：

  10.1021/ja01235a044

文献信息

• N-heterocyclic carbene-catalyzed intramolecular aza-Michael addition of alkyl amines to α,β-unsaturated carboxylic acid: Synthesis of pyrrolidines and piperidines
  作者：Zhao-Fei Zhang、Zhong-Hua Gao、Chun-Lin Zhang、Song Ye

  DOI：10.1016/j.tet.2021.132337

  日期：2021.8

  carbene-catalyzed intramolecular aza-Michael addition of alkyl amines to α,β-unsaturated carboxylic acid has been realized. The corresponding pyrrolidine and piperidine derivatives can be obtained in good to excellent yields. Reaction using chiral NHC catalyst showed promising enantioselectivities up to 55% ee. Further chemical transformations of the products provided carboxylic acids, alcohols, and unprotected

  N-杂环卡宾催化烷基胺与α,β-不饱和羧酸的分子内氮杂-迈克尔加成反应已经实现。相应的吡咯烷和哌啶衍生物可以以良好到极好的收率获得。使用手性 NHC 催化剂的反应显示出高达 55% ee 的对映选择性。产物的进一步化学转化提供了羧酸、醇和未保护的胺。
• Thermische Umwandlung von Penta-2, 4-dienyl-phenyläthern in 4-(Penta-2, 4-dienyl)-phenole; [5s, 5s]-sigmatropische Umlagerungen
  作者：Gy. Fráter、H. Schmid

  DOI：10.1002/hlca.19700530208

  日期：——

  trans-Penta-2, 4-dienyl phenyl ether (trans-1), on heating at 186° in a five-fold excess of N, N-diethylaniline, gave via a [3s, 3s] rearrangement 23% of 2-(1-vinyl-allyl)-phenol (2) and via a [5s, 5s] rearrangement 37% of trans-4-(penta-2, 4-dienyl)-phenol (trans-3). The dimeric residue was formed from trans-1 by diene synthesis. By working at high dilution, the formation of dimeric products was kept

  反式-五2,4二烯基苯基醚（反式- 1），对在五倍过量的N，N-二乙基苯胺在186°加热，经由给[3S，3S]重排的2- 23％（ 1-乙烯基-烯丙基） -苯酚（2）和经由[5S，5S]重排的37％的反式-4-（五2,4二烯基） -苯酚（反式- 3）。二聚体残余物从形成反式- 1由二烯合成。通过高稀释度工作，二聚产物的形成保持在最低限度。迁移戊二烯基残基的重排期间反转的反式- 1到反式- 3通过标记的醚的甲基的重排证明反，反- 4到p -dienyl -苯酚8（93％）（伴有只有7％的9）。反式- 5给p苯酚9定量。
• Synthesis of hexakis(aryloxy)benzenes: x-ray analysis of hexakis (phenyloxy) benzene and of the acetonitrile clathrate of hexakis (3,5-dimethylphenyloxy) benzene
  作者：Christopher J. Gilmore、David D. MacNicol、Anthony Murphy、Marie A. Russell

  DOI：10.1016/s0040-4039(00)88154-x

  日期：1983.1

  Hexakis (aryloxy) benzenes (I)-(IV), representatives of a new class of molecule, have been prepared by reaction of hexafluorobenzene with the sodium salt of the appropriate phenol in 1,3-dimethyl-2-imidazolidinone (DMEU) as solvent. X-ray analyses of parent (I) and of the acetonitrile clathrate of (II) are described, a novel edge-on interaction between host and guest being found in the latter.

  通过使六氟苯与适当的苯酚的钠盐在1,3-二甲基-2-咪唑啉酮（DMEU）中的反应制备六类（芳氧基）苯（I）-（IV），这是一类新的分子。溶剂。描述了母体（I）和乙腈包合物（II）的X射线分析，在后者中发现了宿主和来宾之间的新型边对边相互作用。
• New N-aryl isoxazolecarboxamides and N-isoxazolylbenzamides as anticonvulsant agents
  作者：F Lepage、F Tombret、G Cuvier、A Marivain、JM Gillardin

  DOI：10.1016/0223-5234(92)90137-p

  日期：1992.9

  We prepared a series of N-aryl isoxazolecarboxamide, N-isoxazolylbenzamide compounds and derivatives and studied their anticonvulsant action in MES and MMS tests. Some of these reveal considerable activity, especially with respect to MES test. The disubstitution in the 2.6-position on the phenyl ring by two methyl groups would appear to be of primary importance for the activity. The amide bridge between the phenyl and isoxazolic rings, whether of the anilide or benzamide type, seems to show similar anticonvulsant behavior. We have selected the derivatives 8 (N-(2.6-dimethylphenyl)-5-methyl-3-isoxazolecarboxamide, 12 (N-(2,6-dimethylphenyl)-5-hydroxymethyl-3-isoxazolecarboxamide) and 51 (N-(5-methyl-3-isoxazolyl)-2.6-dimethylbenzamide) which are presently being studied in more extended pharmacological tests.
• Jentzsch,R. et al., Journal fur praktische Chemie (Leipzig 1954), 1977, vol. 319, p. 862 - 870
  作者：Jentzsch,R. et al.

  DOI：——

  日期：——