1-(4-chlorophenyl)cyclobutylmethanol | 50921-41-0

• 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-(4-chlorophenyl)cyclobutylmethanol
• 英文别名: 1-[1-(4-chlorophenyl)cyclobutyl]methyl alcohol；[1-(4-Chloro-phenyl)-cyclobutyl]-methanol；(1-(4-chlorophenyl)cyclobutyl)methanol；[1-(4-chlorophenyl)cyclobutyl]methanol
• CAS: 50921-41-0
• 化学式: C₁₁H₁₃ClO
• 分子量: 196.677
• InChiKey: TYJYYNPUIKWSOP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1-(4-chlorophenyl)cyclobutylmethanol 在 四氯化碳 、 三苯基膦 作用下， 反应 60.0h， 以64%的产率得到1-(4-chlorophenyl)cyclobutylmethyl chloride
  参考文献：
  名称：

  极性取代基对1-芳基环丁基甲基格氏试剂环断裂重排的影响

  摘要：

  已经确定了1-苯基环丁基甲基镁氯化物及其对甲基和对氯类似物的环断裂重排的动力学。一阶速率常数由Hammett方程关联，ϱ = -0.47。该结果与具有显着极性特征的具有环状过渡态的协调机制一致，尽管极性对反应物和产物的稳定性也有贡献。苯基本身使反应减慢了0.031倍，这主要是根据过渡态的空间不稳定来解释的。

  DOI：

  10.1016/0022-328x(93)80060-o
• 作为产物：
  描述：

  对氯苯乙腈 在 氢氧化钾 、 lithium aluminium tetrahydride 、 sodium hydride 作用下， 以 乙醚 、 二甲基亚砜 、 二乙二醇 为溶剂， 生成 1-(4-chlorophenyl)cyclobutylmethanol
  参考文献：
  名称：

  极性取代基对1-芳基环丁基甲基格氏试剂环断裂重排的影响

  摘要：

  已经确定了1-苯基环丁基甲基镁氯化物及其对甲基和对氯类似物的环断裂重排的动力学。一阶速率常数由Hammett方程关联，ϱ = -0.47。该结果与具有显着极性特征的具有环状过渡态的协调机制一致，尽管极性对反应物和产物的稳定性也有贡献。苯基本身使反应减慢了0.031倍，这主要是根据过渡态的空间不稳定来解释的。

  DOI：

  10.1016/0022-328x(93)80060-o

文献信息

• New oxybenzamide derivatives useful for inhibiting factor Xa or VIIa
  申请人：——

  公开号：US20020198195A1

  公开（公告）日：2002-12-26

  The present invention relates to compounds comprising the following formula: R 0 —Q—X—Q′—W—U—V—G—M  (I) These compounds are useful as pharmacologically active compounds. They exhibit an antithrombotic effect and are suitable, for example, for the therapy and prophylaxis of cardiovascular disorders such as thromboembolic diseases or restenoses. These compounds are reversible inhibitors of the blood clotting enzymes factor Xa (FXa) and/or factor VIIa (FVIIa), and can generally be used to treat, prevent, or cure conditions in which an undesired activity of factor Xa and/or factor VIIa is present, or where inhibition of factor Xa and/or factor VIIa is intended. The invention further relates to processes for the preparation of these compounds, methods of their use (e.g., as active ingredients in pharmaceuticals), and pharmaceutical preparations comprising them.

  本发明涉及包含以下公式的化合物： R 0 —Q—X—Q′—W—U—V—G—M  (I) 这些化合物作为药物活性化合物是有用的。它们展现出抗血栓作用，并适用于例如治疗和预防心血管疾病，如血栓栓塞性疾病或再狭窄。这些化合物是血液凝固酶因子Xa（FXa）和/或因子VIIa（FVIIa）的可逆性抑制剂，通常可用于治疗、预防或治愈存在因子Xa和/或因子VIIa不期望活性的情况，或旨在抑制因子Xa和/或因子VIIa的情况。本发明还涉及制备这些化合物的方法、它们的使用方法（例如，作为药品中的活性成分）以及包含它们的药物制剂。
• [EN] SUBSTITUTED 3-PHENYL-1,2,4-OXADIAZOLE COMPOUNDS<br/>[FR] COMPOSÉS 3-PHÉNYL-1,2,4-OXADIAZOLE SUBSTITUÉS
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2012012477A1

  公开（公告）日：2012-01-26

  Disclosed are compounds of Formula (I): (I) or stereoisomers, salts, or prodrugs thereof, wherein: (i) R1 and R2 are independently C1-C4 alkyl, or (ii) R1 and R2 together with the carbon atom to which they are attached, form a cyclic group; and Q is H, C1-6alkyl, phenyl or 5- to 6-membered heteroaryl substituted with zero to 3 substituents, and G is defined herein. Also disclosed are method of using such compounds as selective agonists for G protein-coupled receptor S1P1, and pharmaceutical compositions comprising such compounds. There compounds are useful in treating, preventing, or slowing the progression of diseases or disorders in a variety of therapeutic areas, such as autoimmune diseases and chronic inflammatory disease.

  本文揭示了Formula (I)的化合物：(I)或其立体异构体、盐或前药，其中：(i) R1和R2独立地为C1-C4烷基，或者(ii) R1和R2与它们连接的碳原子一起形成一个环状基团；Q为H，C1-6烷基，苯基或带有零至3个取代基的5-至6-成员杂环芳基；G在此处有定义。还揭示了使用这些化合物作为G蛋白偶联受体S1P1的选择性激动剂的方法，以及包含这些化合物的药物组合物。这些化合物在治疗、预防或减缓多种治疗领域的疾病或疾病的进展方面具有用途，例如自身免疫疾病和慢性炎症性疾病。
• [EN] SUBSTITUTED OXADIAZOLE COMPOUNDS AND THEIR USE AS S1P1 AGONISTS<br/>[FR] COMPOSÉS OXADIAZOLES SUBSTITUÉS ET LEUR UTILISATION EN TANT QU'AGONISTES DU S1P1
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2012040532A1

  公开（公告）日：2012-03-29

  Disclosed are compounds of Formula (I): [PLEASE INSERT CHEMICAL STRUCTURE HERE] or stereoisomers, N-oxides, salts, or prodrugs thereof; wherein: Ring A is phenyl or 5- to 6-membered heteroaryl; (i) R1 and R2 are independently C1-C4 alkyl; or (ii) R1 and R2 together with the carbon atom to which they are attached, form a cyclic group; Q is phenyl or 5- to 6-membered heteroaryl substituted with zero to 3 substituents; and R3, L1, L2, and n are defined herein. Also disclosed are methods of using such compounds as selective agonists for G protein-coupled receptor S1P1, and pharmaceutical compositions comprising such compounds. These compounds are useful in treating, preventing, or slowing the progression of diseases or disorders in a variety of therapeutic areas, such as autoimmune diseases and vascular disease.

  公开了式(I)的化合物：[请在此处插入化学结构]或其立体异构体、N-氧化物、盐或前药；其中：环A是苯基或5至6元杂芳基；(i) R1和R2各自独立地是C1-C4烷基；或(ii) R1和R2与其所连接的碳原子一起形成一个环状基团；Q是带有零至3个取代基的苯基或5至6元杂芳基；并且R3、L1、L2和n如本文所定义。还公开了使用这些化合物作为G蛋白偶联受体S1P1的选择性激动剂的方法，以及包含这些化合物的药物组合物。这些化合物在治疗、预防或减缓各种治疗领域中的疾病或障碍的进展方面有用，例如自身免疫性疾病和血管疾病。
• Azolylmethylcycloalkanes, their preparation and their use as drugs
  申请人：BASF Aktiengesellschaft

  公开号：US04670454A1

  公开（公告）日：1987-06-02

  Azolylmethylcycloalkanes of the formula I ##STR1## where A and B are identical or different and are each hydrogen, unsubstituted or halogen-substituted alkyl of 1 to 4 carbon atoms, naphthyl, hetaryl, biphenyl or phenyl, where the phenyl radical can be substituted by halogen, nitro, alkyl, alkoxy or haloalkyl, each of 1 to 4 carbon atoms, phenoxy or phenylsulfenyl, D and E are identical or different and are each hydrogen or halogen, Z is CH or N, m can be 1, 2, 3 or 4 and n can be 0, 1 or 2, their addition salts with acids and their metal complexes, and the preparation of these compounds, are described. The compounds are useful for treating disorders and for crop, wood and material protection.

  化合物I的式子为：##STR1## 其中A和B相同或不同，均为1到4个碳原子的未取代或卤代烷基、萘基、杂环基、联苯基或苯基，其中苯基基团可以被卤素、硝基、烷基、烷氧基或卤代烷基，每个基团的碳原子数均为1到4，也可以是苯氧基或苯基硫醇基。D和E相同或不同，均为氢或卤素，Z为CH或N，m可以是1、2、3或4，n可以是0、1或2。本文介绍了这些化合物的酸加成盐和金属配合物，以及它们的制备方法。这些化合物可用于治疗疾病以及作为农作物、木材和材料的保护剂。
• Oxybenzamide derivatives useful for inhibiting factor Xa or Vlla
  申请人：Nazare Marc

  公开号：US20050165058A1

  公开（公告）日：2005-07-28

  The present invention relates to compounds comprising the following formula: R 0 -Q-X-Q′-W—U—V-G-M  (I) These compounds are useful as pharmacologically active compounds. They exhibit an antithrombotic effect and are suitable, for example, for the therapy and prophylaxis of cardiovascular disorders such as thromboembolic diseases or restenoses. These compounds are reversible inhibitors of the blood clotting enzymes factor Xa (FXa) and/or factor VIIa (FVIIa), and can generally be used to treat, prevent, or cure conditions in which an undesired activity of factor Xa and/or factor VIIa is present, or where inhibition of factor Xa and/or factor VIIa is intended. The invention further relates to processes for the preparation of these compounds, methods of their use (e.g., as active ingredients in pharmaceuticals), and pharmaceutical preparations comprising them.

  本发明涉及以下式子的化合物：R0-Q-X-Q′-W—U—V-G-M（I）。这些化合物可用作药理活性化合物。它们表现出抗血栓作用，例如，适用于治疗和预防心血管疾病，如血栓栓塞性疾病或再狭窄。这些化合物是血液凝固酶因子Xa（FXa）和/或因子VIIa（FVIIa）的可逆抑制剂，并且通常可用于治疗，预防或治愈存在因子Xa和/或因子VIIa的不良活性或需要抑制因子Xa和/或因子VIIa的情况。本发明还涉及制备这些化合物的方法，它们的使用方法（例如，作为药物的活性成分）以及包含它们的制药制剂。