2-(4-chloro-3-methylphenyl)-1,2-propene | 103038-95-5

• 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: 2-(4-chloro-3-methylphenyl)-1,2-propene
• 英文别名: 1-chloro-4-isopropenyl-2-methyl-benzene；1-Chlor-4-isopropenyl-2-methyl-benzol；1-Chloro-2-methyl-4-prop-1-en-2-ylbenzene
• CAS: 103038-95-5
• 化学式: C₁₀H₁₁Cl
• 分子量: 166.65
• InChiKey: MAOUVPKUOXOEJR-UHFFFAOYSA-N

物化性质

• 沸点：
  107-108 °C(Press: 17 Torr)
• 密度：
  1.055 g/cm3(Temp: 25 °C)

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 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：

  2-(4-chloro-3-methylphenyl)-1,2-propene 在 AD-mix β 、 10 % platinum on carbon 、 sodium ethanolate 、 碳酸氢钠 作用下， 以 乙醚 、 乙醇 、 水 、 叔丁醇 为溶剂， 反应 18.0h， 生成 (5R)-5-(4-chloro-3-methylphenyl)-5-methyl-oxazolidine-2,4-dione
  参考文献：
  名称：

  Benzimidazolones: A New Class of Selective Peroxisome Proliferator-Activated Receptor γ (PPARγ) Modulators

  摘要：

  A series of benzimidazolone carboxylic acids and oxazolidinediones were designed and synthesized in search of selective PPAR gamma modulators (SPPAR gamma Ms) as potential therapeutic agents for the treatment of type II diabetes mellitus (T2DM) with improved safety profiles relative to rosiglitazone and pioglitazone, the currently marketed PPAR gamma full agonist drugs. Structure activity relationships of these potent and highly selective SPPAR gamma Ms were studied with a focus on their unique profiles as partial agonists or modulators. A variety of methods, such as X-ray aystallographic analysis, PPAR gamma transactivation coactivator profiling, gene expression profiling, and mutagenesis studies, were employed to reveal the differential interactions of these new analogues with PPAR gamma receptor in comparison to full agonists. In rodent models of T2DM, benzimidazolone analogues such as (5R)-5-(3-{[3-(5-methoxybenzisoxazol-3-yl)benzimidazol-1-yl]methyl}phenyl)-5-methyloxazolidinedione (Si) demonstrated efficacy equivalent to that of rosiglitazone. Side effects, such as fluid retention and heart weight gain associated with PPAR gamma full agonists, were diminished with 51 in comparison to rosiglitazone based on studies in two independent animal models.

  DOI：

  10.1021/jm201061j
• 作为产物：
  描述：

  甲基溴化镁 、 4-氯-3-甲基苯乙酮 生成 2-(4-chloro-3-methylphenyl)-1,2-propene
  参考文献：
  名称：

  Some Disubstituted α-Methylstyrenes and their Polymerization Characteristics and a Comparative Study of the Refractive Indexes of Substituted Styrenes and α-Methylstyrenes¹

  摘要：

  DOI：

  10.1021/ja01145a145

文献信息

• [EN] BETA-HYDROXYETHYLAMINES FOR USE IN THE TREATMENT OR PREVENTION OF NON-ALCOHOLIC FATTY LIVER DISEASES<br/>[FR] BÊTA-HYDROXYÉTHYLAMINES POUR UTILISATION DANS LE TRAITEMENT OU LA PRÉVENTION DES STÉATOSES HÉPATIQUES NON ALCOOLIQUES
  申请人：ATROGI AB

  公开号：WO2019053428A1

  公开（公告）日：2019-03-21

  There is herein provided a compound of formula (I) or a pharmaceutically acceptable salt thereof, for use in the treatment of a non-alcoholic fatty liver disease (NAFLD), such as non-alcoholic steatohepatitis (NASH), wherein X, R1, R2, R3 and n have meanings as provided in the description.

  本文提供了一种化合物（I）或其药用可接受盐，用于治疗非酒精性脂肪肝病（NAFLD），如非酒精性脂肪性肝炎（NASH），其中X、R1、R2、R3和n的含义如描述中所提供。
• Catalytic alkene skeletal modification for the construction of fluorinated tertiary stereocenters
  作者：Liyin Jiang、Pau Sarró、Wei Jie Teo、Jordi Llop、Marcos G. Suero

  DOI：10.1039/d2sc00968d

  日期：——

  Herein we describe the first construction of fluorinated tertiary stereocenters based on an alkene C(sp2)–C(sp2) bond cleavage. The new process, that takes advantage of a Rh-catalyzed carbyne transfer, relies on a branched-selective fluorination of tertiary allyl cations and is distinguished by a wide scope including natural products and drug molecule derivatives as well as adaptability to radiofluorination

  在此，我们描述了基于烯烃 C(sp 2 )–C(sp 2 ) 键断裂的氟化叔立构中心的第一个结构。该新工艺利用Rh催化的碳炔转移，依赖于叔烯丙基阳离子的支链选择性氟化，其特点是范围广泛，包括天然产物和药物分子衍生物以及对放射性氟化的适应性。
• Monomers and Polymers. III. A New Synthesis for α-Methylstyrenes^1,2
  作者：G. Bryant Bachman、Henry M. Hellman

  DOI：10.1021/ja01185a031

  日期：1948.5
• Concerning the Reaction of o-Chlorotoluene with Propylene Chlorohydrin
  作者：Guido H. Stempel、Betty Sobel

  DOI：10.1021/ja01165a546

  日期：1950.9
• [EN] FLUORINE ATOM-CONTAINING COMPOUND AND USE THEREOF<br/>[FR] COMPOSÉ CONTENANT DES ATOMES DE FLUOR ET LEUR UTILISATION<br/>[JA] フッ素原子含有化合物及びその利用
  申请人：NISSAN CHEMICAL IND LTD

  公开号：WO2017122649A1

  公开（公告）日：2017-07-20

  下記式（１）で表されるフッ素原子含有化合物を提供する。［式中、Ｚは、所定の２価の基を表し、Ａｒは、それぞれ独立に、所定の芳香環含有基を表し、ＡｒFは、それぞれ独立に、所定のフッ素原子含有アリール基を表す。］