1-(3',4'-dimethylphenyl)bromoethane | 20871-94-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-(3',4'-dimethylphenyl)bromoethane
• 英文别名: 3',4'-dimethyl-1-phenyl-1-bromoethane；4-(1-Bromoethyl)-1,2-dimethylbenzene；3,4-Dimethyl-1-(α-bromethyl)-benzol；4-(bromoethyl)-2-methyltoluene
• CAS: 20871-94-7
• 化学式: C₁₀H₁₃Br
• 分子量: 213.117
• InChiKey: IVLRQCRVLIXRFV-UHFFFAOYSA-N

物化性质

• 沸点：
  244.4±9.0 °C(Predicted)
• 密度：
  1.263±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  1-(3',4'-dimethylphenyl)bromoethane 以 苯 为溶剂， 反应 48.0h， 生成 (Z)-Methyl 4-<2-(3,4-dimethylphenyl)-1-propenyl>benzoate
  参考文献：
  名称：

  Retinobenzoic acids. 3. Structure-activity relationships of retinoidal azobenzene-4-carboxylic acids and stilbene-4-carboxylic acids

  摘要：

  Alkyl-substituted azobenzene-4-carboxylic acids are potent differentiation inducers of human promyelocytic leukemia cell line HL-60 to mature granulocytes. Their structure-activity relationships are very similar to those of other retinoidal benzoic acids which are generally represented by 4 and named retinobenzoic acids. The structure-activity relationships of azobenzenecarboxylic acids can also be applied to the known retinoid TTNPB (3). Thus, (E)-4-[2-(3,4-diisopropylphenyl)-1-propenyl]benzoic acid (St30 (28] and (E)-4-[2-(3-tert-butylphenyl)ethenyl]benzoic acid (St40 (29], the acyclic alkyl analogues of TTNPB, are nearly as active as retinoic acid. Among the oxidatively derived compounds (Az90, Ep series and Ox series) of azobenzene- or stilbenecarboxylic acids, Az90 (71) and Ep80 (61) have strong activities. However, all the bishydroxylated derivatives of TTNPB are inactive, while a diketo analogue Ox580 (69) has only weak potency. The activities of conformationally restricted compounds of TTNPB offer some information on the stereochemistry of the active form of these retinoidal compounds.

  DOI：

  10.1021/jm00125a027
• 作为产物：
  描述：

  1-(3,4-二甲基苯基)乙醇 在 吡啶 、 三溴化磷 作用下， 以 乙醚 、 正己烷 为溶剂， 反应 1.5h， 生成 1-(3',4'-dimethylphenyl)bromoethane
  参考文献：
  名称：

  Retinobenzoic acids. 3. Structure-activity relationships of retinoidal azobenzene-4-carboxylic acids and stilbene-4-carboxylic acids

  摘要：

  Alkyl-substituted azobenzene-4-carboxylic acids are potent differentiation inducers of human promyelocytic leukemia cell line HL-60 to mature granulocytes. Their structure-activity relationships are very similar to those of other retinoidal benzoic acids which are generally represented by 4 and named retinobenzoic acids. The structure-activity relationships of azobenzenecarboxylic acids can also be applied to the known retinoid TTNPB (3). Thus, (E)-4-[2-(3,4-diisopropylphenyl)-1-propenyl]benzoic acid (St30 (28] and (E)-4-[2-(3-tert-butylphenyl)ethenyl]benzoic acid (St40 (29], the acyclic alkyl analogues of TTNPB, are nearly as active as retinoic acid. Among the oxidatively derived compounds (Az90, Ep series and Ox series) of azobenzene- or stilbenecarboxylic acids, Az90 (71) and Ep80 (61) have strong activities. However, all the bishydroxylated derivatives of TTNPB are inactive, while a diketo analogue Ox580 (69) has only weak potency. The activities of conformationally restricted compounds of TTNPB offer some information on the stereochemistry of the active form of these retinoidal compounds.

  DOI：

  10.1021/jm00125a027

文献信息

• [EN] 3,6-DISUBSTITUTED AZABICYCLO HEXANE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS<br/>[FR] DERIVES DE 3,6-DISUBSTITUES AZABICYCLO HEXANE UTILISES EN TANT QU'ANTAGONISTES DU RECEPTEUR DE MUSCARINIQUE
  申请人：RANBAXY LAB LTD

  公开号：WO2004067510A1

  公开（公告）日：2004-08-12

  This invention generally relates to derivatives of 3,6 disubstituted azabicyclo hexanes.The compounds of this invention can function as muscarinic receptor antagonists and can be used for the treatment of various diseases of the respiratory, urinary and gastrointestinal systems mediated through muscarinic receptors.The invention also relates to pharmaceutical compositions containing the compounds of the present invention and the methods of treating the diseases mediated through muscarinic receptors.

  这项发明通常涉及3,6-二取代氮杂环己烷衍生物。本发明的化合物可以作为毒蕈碱受体拮抗剂发挥作用，并可用于治疗通过毒蕈碱受体介导的呼吸道、泌尿道和消化系统的各种疾病。该发明还涉及含有本发明化合物的药物组合物以及治疗通过毒蕈碱受体介导的疾病的方法。
• The Menschutkin reaction of 1-arylethyl bromides with pyridine: Evidence for the duality of clean SN1 and SN2 mechanisms
  作者：Chultack Lim、Sung-Hong Kim、Soo-Dong Yoh、Mizue Fujio、Yuho Tsuno

  DOI：10.1016/s0040-4039(97)00574-1

  日期：1997.5

  pyridine in acetonitrile by unimolecular and bimolecular processes. These processes are quite distinct and this fact affords clear evidence for the duality of clean SN1 and SN2 mechanisms, occurrence of independent SN1 and SN2 reaction processes without an intermediate mechanism.

  1-芳乙基溴化物通过单分子和双分子过程与吡啶在乙腈中反应。这些过程非常不同，这一事实为清洁的S N 1和S N 2机理的二元性，独立的S N 1和S N 2反应过程的发生而没有中间机理提供了明确的证据。
• 3,6-Disubstituted azabicyclo hexane derivatives as muscarinic receptor antagonists
  申请人：Mehta Anita

  公开号：US20060247225A1

  公开（公告）日：2006-11-02

  This invention generally relates to derivatives of 3,6 disubstituted azabicyclo hexanes. The compounds of this invention can function as muscarinic receptor antagonists and can be used for the treatment of various diseases of the respiratory, urinary and gastrointestinal systems mediated through muscarinic receptors. The invention also relates to pharmaceutical compositions containing the compounds of the present invention and the methods of treating the diseases mediated through muscarinic receptors.

  本发明一般涉及 3,6-二取代氮杂双环己烷的衍生物。本发明的化合物可作为毒蕈碱受体拮抗剂，可用于治疗通过毒蕈碱受体介导的呼吸系统、泌尿系统和胃肠道系统的各种疾病。本发明还涉及含有本发明化合物的药物组合物以及治疗通过毒蕈碱受体介导的疾病的方法。
• Stein, Allan R., Canadian Journal of Chemistry, 1987, vol. 65, p. 363 - 371
  作者：Stein, Allan R.

  DOI：——

  日期：——
• 1-PHENYLALKYL-1,2,3,6-TETRAHYDROPYRIDINES POUR LE TRAITEMENT DE LA MALADIE D'ALZHEIMER
  申请人：Sanofi-Synthélabo

  公开号：EP0950048A1

  公开（公告）日：1999-10-20