2-(3,4-二甲氧基苯基)-4,4-二甲基-4,5-二氢-1,3-噁唑 | 57193-17-6

• 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-(3,4-二甲氧基苯基)-4,4-二甲基-4,5-二氢-1,3-噁唑
• 英文名称: 4,4-dimethyl-2-(3,4-dimethoxyphenyl)-2-oxazoline
• 英文别名: 2-(3,4-dimethoxy-phenyl)-4,4-dimethyl-4,5-dihydro-oxazole；2-(3,4-dimethoxyphenyl)-4,4-dimethyloxazoline；Oxazole, 4,5-dihydro-2-(3,4-dimethoxyphenyl)-4,4-dimethyl-；2-(3,4-dimethoxyphenyl)-4,4-dimethyl-5H-1,3-oxazole
• CAS: 57193-17-6
• 化学式: C₁₃H₁₇NO₃
• 分子量: 235.283
• InChiKey: LLBMTOGCQQKFAR-UHFFFAOYSA-N

物化性质

• 沸点：
  335.4±32.0 °C(Predicted)
• 密度：
  1.11±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  40
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-(3,4-二甲氧基苯基)-4,4-二甲基-4,5-二氢-1,3-噁唑 在 盐酸 、 正丁基锂 作用下， 以 乙醚 为溶剂， 反应 12.5h， 生成 3,4-dimethoxy-2-(4'-methoxybenzyl)benzoic acid
  参考文献：
  名称：

  Gore, Vinayak G.; Narasimhan, Nurani S., Journal of the Chemical Society. Perkin transactions I, 1988, p. 481 - 484

  摘要：

  DOI：
• 作为产物：
  描述：

  藜芦酸 在 氯化亚砜 作用下， 反应 8.5h， 生成 2-(3,4-二甲氧基苯基)-4,4-二甲基-4,5-二氢-1,3-噁唑
  参考文献：
  名称：

  Hattori, Tetsutaro; Takeda, Ayanobu; Suzuki, Kenji, Journal of the Chemical Society. Perkin transactions I, 1998, # 22, p. 3661 - 3671

  摘要：

  DOI：

文献信息

• Process for the preparation of indazoles
  申请人：Ortho Pharmaceutical Corporation

  公开号：US04864032A1

  公开（公告）日：1989-09-05

  A process for the preparation of aryl hydrazines and indazoles by reacting organometallic regents with azodicarboxylates.

  通过将有机金属试剂与偶氮二羧酸酯反应制备芳基肼和吲哚的方法。
• The σ-Bonded Palladium(II) Complexes of 2-Aryl-4,4-dimethyl-2-oxazolines
  作者：Takeo Izumi、Hiroyuki Watabe、Akira Kasahara

  DOI：10.1246/bcsj.54.1711

  日期：1981.6

  Reactions of 2-phenyl-4,4-dimethyl-2-oxazoline with lithium tetrachloropalladate(II) and palladium(II) acetate give dichlorobis(2-phenyl-4,4-dimethyl-2-oxazoline,3-N)palladium(II) and a cyclopalladated binuclear complex, di-μ-acetato-bis[2-(4′,4′-dimethyl-2′-oxazolinyl)phenyl,1-C,3′-N)dipalladium(II), respectively. The latter complex is readily converted by a metathetical reaction with lithium chloride into its chloro-bridged analogue. The chloro-bridged complex reacts with triphenylphosphine to give the corresponding mononuclear σ-bonding palladium complex. All the complexes prepared in this study were characterized by means of IR and NMR spectroscopies.

  2-苯基-4,4-二甲基-2-噁唑啉与四氯钯酸锂（II）和乙酸钯（II）反应，得到二氯双（2-苯基-4,4-二甲基-2-噁唑啉、3-N）钯（II）和环钯化双核络合物，即二μ-乙酰基双[2-（4′，4′-二甲基-2′-恶唑啉基）苯基，1-C，3′-N）二钯（II）。后一种络合物很容易通过与氯化锂的元反应转化成其氯桥类似物。氯桥络合物与三苯基膦反应生成相应的单核σ键钯络合物。本研究中制备的所有络合物都通过红外光谱和核磁共振光谱进行了表征。
• Palladium-mediated ortho-alkylation of 2-aryloxazolines
  作者：J.C. Clinet、G. Balavoine

  DOI：10.1016/0022-328x(91)86285-x

  日期：1991.3

  The regioselective ortho-alkylation of 2-aryloxazolines through the reaction of their cyclopalladated complexes with 1-iodoalkanes is described. Depending upon the experimental conditions, either 2- or 2,6-substituted derivatives can be selectively prepared.

  描述了2-芳基恶唑啉通过其环钯配合物与1-碘代烷烃的区域选择性邻烷基化。根据实验条件，可以选择性地制备2-或2,6-取代的衍生物。
• Substituted 3,4-dihydroxy-phenylethylamino compounds
  申请人：Fisons, plc

  公开号：US04720586A1

  公开（公告）日：1988-01-19

  There are provided compounds of formula I, ##STR1## in which R.sub.1 represents OH, R.sub.2 and R.sub.3, which may be the same or different, each independently represent hydrogen, fluorine, chlorine, bromine, alkyl C1 to 6, nitro, nitrile, (CH.sub.2).sub.p R.sub.9 or SR.sub.9, W represents a single bond, a 1,2; 1,3; or 1,4-disubstituted benzene ring; a --CH.dbd.CH--group or a 1,4-cyclohexanediyl group; X respresents NH, O, S, SO.sub.2, CO, CH.sub.2, CONH or --COO; Y represents (CH.sub.2)q, CO, CS, SO.sub.2 and R.sub.20 represents hydrogen, or Y represents CR.sub.15 R.sub.16 CR.sub.17 R.sub.18, wherein the carbon atom bearing R.sub.15 and R.sub.16 is adjacent to X and in which R.sub.15 and R.sub.18, together with the carbon atom to which they are attached form a carbonyl group, and R.sub.15, R.sub.16 and R.sub.20 each represent hydrogen, or R.sub.15 and R.sub.20 together form a chain --CH.sub.2 --, and R.sub.16, R.sub.17 and R.sub.18 each represent hydrogen, or R.sub.15, R.sub.16, R.sub.17 and R.sub.18 each independently represent hydrogen or alkyl C1 to 6 and R.sub.20 represents hydrogen; Z represents a single bond, NR.sub.19, CH.sub.2, O, CO, S or SO.sub.2, in which R.sub.19 represents hydrogen or alkyl C1 to 6; n, and m each independently represent an integer from 1 to 4 inclusive; q represents an integer from 1 to 3 inclusive; p represents 0 or an integer from 1 to 3 inclusive; R.sub.9 represents phenyl or phenyl substituted by hydroxy, and R.sub.10 represents hydrogen or chlorine, provided that (i) when R.sub.1 represents --OH, R.sub.2 and R.sub.3 both represent hydrogen, X represents NH, Y represents (CH.sub.2).sub.q, Z represents a single bond and R.sub.20 represents hydrogen, W does not represent a single bond; (ii) when R.sub.1 represents --OH, R.sub.2 and R.sub.3 both represent hydrogen, W represents a single bond, X represents NH and Z represents a single bond, then at least one of R.sub.15, R.sub.16, R.sub.17 and R.sub.18 is alkyl C1 to 6; (iii) when X represents SO.sub.2, CO, COO or CONH, then Y does not represent CO, CS or SO.sub.2 ; (iv) when Y represents CO, CS or SO.sub.2, then Z does not represent CO or SO.sub.2, and pharmaceutically acceptable derivatives thereof. There are also described the use of the compounds of formula I as pharmaceuticals, methods for making the compounds and pharmaceutical, e.g. cardiac, compositions containing the compounds.

  提供了化合物I的公式，其中R.sub.1代表OH，R.sub.2和R.sub.3可以相同或不同，各自独立地代表氢，氟，氯，溴，烷基C1至6，硝基，腈基，（CH.sub.2）.sub.pR.sub.9或SR.sub.9，W代表单键，1,2; 1,3;或1,4-二取代苯环；-CH.dbd.CH-基团或1,4-环己基基团；X代表NH，O，S，SO.sub.2，CO，CH.sub.2，CONH或-COO；Y代表（CH.sub.2）q，CO，CS，SO.sub.2和R.sub.20代表氢，或Y代表CR.sub.15 R.sub.16 CR.sub.17 R.sub.18，其中带有R.sub.15和R.sub.16的碳原子邻接X，且R.sub.15和R.sub.18与它们附着的碳原子一起形成羰基基团，且R.sub.15，R.sub.16和R.sub.20各代表氢，或R.sub.15和R.sub.20一起形成链-CH.sub.2-，R.sub.16，R.sub.17和R.sub.18各代表氢，或R.sub.15，R.sub.16，R.sub.17和R.sub.18各自独立地代表氢或烷基C1至6，R.sub.20代表氢；Z代表单键，NR.sub.19，CH.sub.2，O，CO，S或SO.sub.2，其中R.sub.19代表氢或烷基C1至6；n和m各自独立地代表从1到4的整数，包括1和4；q代表从1到3的整数；p代表0或从1到3的整数；R.sub.9代表苯基或被羟基取代的苯基，R.sub.10代表氢或氯，但是当R.sub.1代表-OH时，R.sub.2和R.sub.3都代表氢，X代表NH，Y代表（CH.sub.2）.sub.q，Z代表单键，R.sub.20代表氢时，W不代表单键；当R.sub.1代表-OH时，R.sub.2和R.sub.3都代表氢，W代表单键，X代表NH，Z代表单键时，至少有一个R.sub.15，R.sub.16，R.sub.17和R.sub.18是烷基C1至6；当X代表SO.sub.2，CO，COO或CONH时，Y不代表CO，CS或SO.sub.2；当Y代表CO，CS或SO.sub.2时，Z不代表CO或SO.sub.2，且其药学上可接受的衍生物。还描述了将公式I的化合物用作制药物的用途，制备化合物和制药，例如心脏，含有化合物的组合物。
• Dihydroxy-phenethylamino compounds useful as pharmaceuticals
  申请人：Fisons, plc

  公开号：US04803225A1

  公开（公告）日：1989-02-07

  There are provided compounds of formula I, ##STR1## and pharmaceutically acceptable derivatives thereof. There are also described the use of the compounds of formula I as pharmaceuticals, methods for making the compounds and pharmaceutical, e.g. cardiac, compositions containing the compounds.

  提供了公式I的化合物，##STR1##以及其药学上可接受的衍生物。还描述了公式I化合物作为药物的用途，制备化合物和制药方法，例如含有这些化合物的制药，如心脏组成物。