1-tert-butyl-2-chloro-4-methyl-benzene | 81901-12-4

• 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-tert-butyl-2-chloro-4-methyl-benzene
• 英文别名: 1-tert-Butyl-2-chlor-4-methyl-benzol；Benzene, chloro-1-(1,1-dimethylethyl)-4-methyl-；1-tert-butyl-2-chloro-4-methylbenzene
• CAS: 81901-12-4
• 化学式: C₁₁H₁₅Cl
• 分子量: 182.693
• InChiKey: XQVQFDUMCCPINW-UHFFFAOYSA-N

物化性质

• 保留指数：
  1260

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为产物：
  描述：

  4-叔丁基甲苯 在 氯 、 溶剂黄146 作用下， 生成 4-tert-butyl-2-chloro-1-methylbenzene 、 1-tert-butyl-2-chloro-4-methyl-benzene
  参考文献：
  名称：

  Relative Rates and Isomer Distributions in the Halogenation of t-Butylbenzene and Some of Its Derivatives. Partial Rate Factors for Non-catalytic Bromination and Chlorination in Acetic Acid^1-3

  摘要：

  DOI：

  10.1021/ja01530a024

文献信息

• PRODRUGS OF FUSED-BICYCLIC C5aR ANTAGONISTS
  申请人：CHEMOCENTRYX, INC.

  公开号：US20190300526A1

  公开（公告）日：2019-10-03

  The present disclosure provides, inter alia, Compounds of Formulae IA, IB, IC, IIA, IIB and IIC or pharmaceutically acceptable salts thereof that are modulators of the C5a receptor. Also provided are pharmaceutical compositions and methods of use including the treatment of diseases or disorders involving pathologic activation from C5a and non-pharmaceutical applications.

  本公开提供了化合物IA、IB、IC、IIA、IIB和IIC的结构，或其在药学上可接受的盐，这些化合物是C5a受体的调节剂。还提供了包括治疗涉及C5a病理性激活的疾病或疾病的药物组合物和使用方法，以及非药物应用。
• PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS
  申请人：MITSUI CHEMICALS AGRO, INC.

  公开号：US20200172486A1

  公开（公告）日：2020-06-04

  Provided are a pyridone compound represented by Formula (1): wherein R1 represents a C1-C6 alkyl group which may be substituted, etc., R2 represents a halogen atom, a cyano group, etc., R3 and R4 are independent to each other, and each represents a hydrogen atom, a C1-C6 alkyl group which may be substituted, etc., or in combination with the nitrogen atom to which they are bonded form a pyrrolidinyl group, a piperidinyl group, etc., which may be substituted, Y represents a phenyl group which may be substituted, etc., X represents an oxygen atom or a sulfur atom, and an agricultural and horticultural fungicide containing the same as an active ingredient.

  提供的是由化学式（1）表示的吡啶酮化合物： 其中 R1代表一个可能被取代的C1-C6烷基，等等， R2代表一个卤素原子，一个氰基，等等， R3和R4彼此独立，每个代表一个氢原子，一个可能被取代的C1-C6烷基，等等，或者与它们结合的氮原子形成一个可能被取代的吡咯啉基团，一个哌啶基团，等等， Y代表一个可能被取代的苯基，等等， X代表一个氧原子或硫原子， 以及含有该化合物作为活性成分的农业和园艺用杀菌剂。
• HETEROARYLS AND USES THEREOF
  申请人：MILLENNIUM PHARMACEUTICALS, INC.

  公开号：US20150225422A1

  公开（公告）日：2015-08-13

  The present invention provides a compound of formula I: and pharmaceutically acceptable salts thereof, wherein X, R 1 , R 2 , R 3 , R 4 , R 5 , L 1 , L 2 , m, and n, are as described in the specification. Such compounds are inhibitors of VPS34 and thus useful for treating proliferative, inflammatory, or cardiovascular disorders.

  本发明提供了一种具有以下化学式I的化合物： 及其药用可接受的盐，其中X、R1、R2、R3、R4、R5、L1、L2、m和n如规范中所述。这些化合物是VPS34的抑制剂，因此对于治疗增殖性、炎症性或心血管疾病是有用的。
• Substituted Benzamide Compounds
  申请人：Reich Melanie

  公开号：US20120071461A1

  公开（公告）日：2012-03-22

  Substituted benzamide compounds corresponding to formula (I) in which R5, R6, R7, R8, a, b, c, d, t, D and X have defined meanings, a process for their preparation, pharmaceutical compositions comprising such compounds, and a method of using such compounds to treat pain and other conditions mediated at least in part via the bradykinin 1 receptor.

  对应于式(I)的取代苯甲酰胺化合物，其中R5、R6、R7、R8、a、b、c、d、t、D和X具有定义的含义，其制备方法，包括这些化合物的药物组合物，以及使用这些化合物治疗疼痛和其他至少部分通过激肽酶1受体介导的疾病的方法。
• IMIDAZO[5,1-C][1,2,4]BENZOTRIAZINE DERIVATIVES AS INHIBITORS OF PHOSPHODIESTERASES
  申请人：Stange Hans

  公开号：US20100120763A1

  公开（公告）日：2010-05-13

  The invention relates to imidazo[5,1-c][1,2,4]benzotriazine derivatives of formula I: which are inhibitors of phosphodiesterase 2 or 10 useful in treating central nervous system diseases such as psychosis and also in treating, for example, obesity, type 2 diabetes, metabolic syndrome, glucose intolerance, and pain.

  本发明涉及式I的咪唑并[5,1-c][1,2,4]苯并三嗪衍生物：它们是磷酸二酯酶2或10的抑制剂，可用于治疗精神病等中枢神经系统疾病，以及例如肥胖、2型糖尿病、代谢综合征、葡萄糖耐受不良和疼痛。