1-溴-3-(1-丙炔基)苯 | 66952-36-1

• 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: 1-溴-3-(1-丙炔基)苯
• 英文名称: 1-bromo-3-(prop-1-yn-1-yl)benzene
• 英文别名: 1-bromo-3-(1-propynyl)benzene；1-bromo-3-prop-1-ynylbenzene
• CAS: 66952-36-1
• 化学式: C₉H₇Br
• 分子量: 195.059
• InChiKey: DXYPQRPGSNUBFO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

安全信息

• 海关编码：
  2903999090

反应信息

• 作为反应物：
  描述：

  1-溴-3-(1-丙炔基)苯 在 氢气 作用下， 以 正己烷 为溶剂， 20.0 ℃ 、101.33 kPa 条件下， 生成 cis-3-bromo-β-methylstyrene
  参考文献：
  名称：

  工程化P450过氧化酶以催化顺-β-甲基苯乙烯的高度对映选择性环氧化

  摘要：

  发现P450 119过加氧酶及其定点突变体可催化甲基取代的苯乙烯的对映选择性环氧化。研究了两个新的定点P450 119突变体，即T213Y和T213M，它们旨在提高苯乙烯及其甲基取代衍生物的环氧化的对映选择性和活性。发现T213M突变体是第一个工程化的P450过氧合酶，该酶显示出顺式-β-甲基苯乙烯的高度对映选择性环氧化，ee高达91％。分子建模研究提供了有关T213M突变体和T213Y突变体在顺式环氧化中不同催化活性的见解-β-甲基苯乙烯。计算结果还有助于更好地了解由T213M突变体催化的区域和立体选择性过氧化的底物特异性和构型控制。

  DOI：

  10.1002/chem.201601176
• 作为产物：
  描述：

  1-(三甲基硅基)丙炔 、 1-溴-3-碘苯 在 copper(l) iodide 、 四(三苯基膦)钯 、 四丁基氟化铵 、 三乙胺 作用下， 以 四氢呋喃 、 甲苯 为溶剂， 反应 17.0h， 以98%的产率得到1-溴-3-(1-丙炔基)苯
  参考文献：
  名称：

  用基于DIH和HF的试剂控制炔烃的单和双碘氟化

  摘要：

  公开了使用1，3-二碘-5，5，-二甲基乙内酰脲和基于HF的试剂进行内部和末端炔的区域和立体选择性碘氟化的新方案。该方法用于从市售原料中分两步制备氟化他莫昔芬衍生物。还提出了一种可控制末端炔烃的区域选择性双碘氟化的简便方法。

  DOI：

  10.1021/acs.orglett.8b00321

文献信息

• 치환 비아릴 화합물
  申请人：UBE Corporation 유비이 가부시키가이샤(519980963229)

  公开号：KR20150135460A

  公开（公告）日：2015-12-02

  본 발명은 화학식 (I) (화학식 중, R, W, R 및 Z는 특허청구범위 및 명세서에서 정의한 바와 같음)로 표현되는 치환 비아릴 화합물 또는 그의 약리상 허용되는 염을 제공한다. 본 발명의 화합물은 우수한 폐섬유 아세포 증식 억제 작용을 갖는 점에서, 간질성 폐렴·폐섬유증에 대한 치료약 및/또는 예방약으로서 유용하다.

  This invention provides a substituted biaryl compound or a pharmaceutically acceptable salt thereof represented by the chemical formula (I) (wherein, R, W, R, and Z are as defined in the claims and specification) . The compounds of the present invention are useful as therapeutic agents and/or prophylactic agents for idiopathic pulmonary fibrosis and pulmonary fibrosis due to their excellent pulmonary fibroblast proliferation inhibitory activity.
• SUBSTITUTED BIARYL COMPOUND
  申请人：UBE Industries, Ltd.

  公开号：EP2980075A1

  公开（公告）日：2016-02-03

  The present invention provides a substituted biaryl compound of general formula (I): wherein, R1, W, R2, and Z are as defined in the claims and the description, or a pharmacologically acceptable salt thereof. The compound according to the present invention has an excellent inhibition effect of pulmonary fibroblast proliferation, and is therefore useful as a therapeutic agent and/or a prophylactic agent for interstitial pneumonia and pulmonary fibrosis.

  本发明提供了一种通式（I）的取代联苯化合物： 其中，R1、W、R2和Z如权利要求和描述中所定义，或其药理学上可接受的盐。根据本发明的化合物具有优异的抑制肺成纤维细胞增殖的效果，因此可用作间质性肺炎和肺纤维化的治疗剂和/或预防剂。
• Compounds and their use as BACE Inhibitors
  申请人：Csjernyik Gabor

  公开号：US20120165347A1

  公开（公告）日：2012-06-28

  The present invention relates to compounds of formula (I) and their pharmaceutical compositions. In addition, the present invention relates to therapeutic methods for the treatment and/or prevention of Aβ-related pathologies such as Down's syndrome, β-amyloid angiopathy such as but not limited to cerebral amyloid angiopathy or hereditary cerebral hemorrhage, disorders associated with cognitive impairment such as but not limited to MCI (“mild cognitive impairment”), Alzheimer's disease, memory loss, attention deficit symptoms associated with Alzheimer's disease, neurodegeneration associated with diseases such as Alzheimer's disease or dementia including dementia of mixed vascular and degenerative origin, pre-senile dementia, senile dementia and dementia associated with Parkinson's disease, progressive supranuclear palsy or cortical basal degeneration.

  本发明涉及式(I)的化合物及其药物组合物。此外，本发明涉及治疗方法，用于治疗和/或预防与Aβ相关的病理，如唐氏综合症，β-淀粉样蛋白血管病，如但不限于脑淀粉样蛋白血管病或遗传性脑出血，与认知损害相关的疾病，如但不限于MCI（“轻度认知损害”），阿尔茨海默病，记忆丧失，与阿尔茨海默病相关的注意力缺陷症状，与疾病如阿尔茨海默病或痴呆症相关的神经退行性疾病，包括混合性血管性和退行性起源的痴呆，早老性痴呆，老年性痴呆和与帕金森病、进行性上核性麻痹或皮层基底节变性相关的痴呆。
• PHARMACEUTICAL COMPOSITION FOR TREATMENT AND/OR PREVENTION OF PULMONARY DISEASE
  申请人：UBE INDUSTRIES, LTD.

  公开号：US20160213657A1

  公开（公告）日：2016-07-28

  Provided is a pharmaceutical composition containing, as an active ingredient thereof, a substituted biaryl compound represented by general formula (I), wherein, R 1 , W, R 2 and Z are as defined in the claims and description, or a pharmacologically acceptable salt thereof. The pharmaceutical composition of the present invention is useful as a therapeutic drug and/or prophylactic drug for chronic obstructive pulmonary disease due to having an excellent anti-inflammatory effect.

  提供的是一种药物组合物，其活性成分是由一般式(I)表示的取代联苯化合物，其中R1、W、R2和Z如权利要求和描述中所定义，或其药理学上可接受的盐。本发明的药物组合物由于具有出色的抗炎效果，可用作治疗慢性阻塞性肺病的治疗药物和/或预防药物。
• Direct Synthesis of 1-Arylprop-1-ynes with Calcium Carbide as an Acetylene Source
  作者：Lei Gao、Zheng Li

  DOI：10.1055/s-0037-1610718

  日期：2019.8

  A simple method is described for the synthesis of 1-arylprop-1-ynes directly from aromatic aldehyde p-tosylhydrazones by using calcium carbide as an acetylene source. The salient features of this protocol are its use of a readily available and easily handled source of acetylene, its operational simplicity, its high yield, and its broad substrate scope.

  描述了一种使用碳化钙作为乙炔源直接从芳香醛对甲苯磺酰腙合成 1-芳基丙-1-炔的简单方法。该协议的显着特点是使用容易获得且易于处理的乙炔来源、操作简单、产量高和底物范围广泛。