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2-(2-氯苯氧)乙醇 | 15480-00-9

中文名称
2-(2-氯苯氧)乙醇
中文别名
2-(2-氯苯氧基)乙醇
英文名称
2-(2-chlorophenoxy)ethanol
英文别名
2-(2-chlorophenoxy)ethan-1-ol;2-(2-hydroxyethoxy)-chlorobenzene
2-(2-氯苯氧)乙醇化学式
CAS
15480-00-9;29533-21-9
化学式
C8H9ClO2
mdl
MFCD00014034
分子量
172.611
InChiKey
FDQGMCQSIVZGHW-UHFFFAOYSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

物化性质

  • 熔点:
    107-108 °C
  • 沸点:
    168-169 °C40 mm Hg(lit.)
  • 密度:
    1.257 g/mL at 25 °C(lit.)
  • 闪点:
    >230 °F

计算性质

  • 辛醇/水分配系数(LogP):
    2
  • 重原子数:
    11
  • 可旋转键数:
    3
  • 环数:
    1.0
  • sp3杂化的碳原子比例:
    0.25
  • 拓扑面积:
    29.5
  • 氢给体数:
    1
  • 氢受体数:
    2

安全信息

  • TSCA:
    Yes
  • 危险等级:
    6.1
  • 危险品标志:
    Xn
  • 危险类别码:
    R21/22,R20/21/22,R36/38,R36/37/38
  • 危险品运输编号:
    2810
  • WGK Germany:
    3
  • 海关编码:
    2909499000
  • 包装等级:
    II
  • 危险类别:
    6.1
  • 安全说明:
    S26,S36

SDS

SDS:36044c68dd89eb426c38f05592f717d3
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上下游信息

  • 上游原料
    中文名称 英文名称 CAS号 化学式 分子量
  • 下游产品
    中文名称 英文名称 CAS号 化学式 分子量

反应信息

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文献信息

  • [EN] NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS<br/>[FR] DERIVES DE NICOTINAMIDE UTILES EN TANT QU'INHIBITEURS DE PDE4
    申请人:PFIZER LTD
    公开号:WO2005009965A1
    公开(公告)日:2005-02-03
    This invention relates to nicotinamide derivative of general formula (I), in which R1, R2 and R3 have the meanings defined herein, and to compositions containing and the uses of such derivatives as PDE4 inhibitors.
    这项发明涉及一般式(I)的烟酰胺衍生物,其中R1、R2和R3具有本文中定义的含义,以及含有这些衍生物并将其用作PDE4抑制剂的组合物。
  • THIAZOLIDINONE COMPOUNDS AND USE THEREOF
    申请人:National Health Research Institutes
    公开号:US20170253569A1
    公开(公告)日:2017-09-07
    A pharmaceutical composition containing a compound of Formula (I) for treating an opioid receptor-associated condition. Also disclosed is a method for treating an opioid receptor-associated condition using such a compound. Further disclosed are two sets of thiazolidinone compounds of formula (I): (i) compounds each having an enantiomeric excess greater than 90% and (ii) compounds each being substituted with deuterium.
    一种含有化合物(I)的药物组合物,用于治疗与阿片受体相关的疾病。还公开了一种使用这种化合物治疗阿片受体相关疾病的方法。进一步公开了两组式(I)的噻唑烷酮化合物:(i)每种化合物的对映体过量大于90%;(ii)每种化合物被氘取代。
  • Substituted phenylalkanoic acid derivatives and use thereof
    申请人:——
    公开号:US20040044258A1
    公开(公告)日:2004-03-04
    A compound represented by the formula (I) or a salt thereof: 1 wherein n represents an integer of 1 to 3, R represents an alkyl group having 3 to 8 carbon atoms, a group represented by the following formula: R 1 (CH 2 ) k — (wherein k represents 0 or an integer of 1 to 3; R 1 represents a saturated cyclic alkyl group having 3 to 7 carbon atoms or a saturated condensed cyclic alkyl group having 6 to 8 carbon atoms, and the group R 1 may be substituted with a lower alkyl group having 1 to 4 carbon atoms) and the like, and Ar represents a condensed bicyclic group such as naphthalen-1-yl group, which has suppressing action on prostaglandin and leukotriene production and is useful for prophylactic and/or therapeutic treatment of various inflammatory diseases and the like caused by these lipid mediators.
    化合物的化学式为(I)或其盐: 其中n表示1到3的整数,R表示具有3到8个碳原子的烷基基团,由以下化学式表示的基团:R1(CH2)k—(其中k表示0或1到3的整数;R1表示具有3到7个碳原子的饱和环烷基基团或具有6到8个碳原子的饱和紧凑环烷基基团,基团R1可以被具有1到4个碳原子的较低烷基基团取代)等,Ar表示如萘-1-基团等的紧凑双环基团,具有对前列腺素和白三烯生成的抑制作用,对由这些脂质介质引起的各种炎症性疾病等的预防和/或治疗治疗有用。
  • Certain aryl-aliphatic and heteroaryl-aliphatic piperazinyl pyrazines and their use in the treatment of serotonin-related diseases
    申请人:Biovitrum AB
    公开号:US06465467B1
    公开(公告)日:2002-10-15
    Compounds of the general formula (I): wherein the variables are as defined in the specification are useful for the prophylaxis or treatment of serotonin-related, especially 5-HT2 receptor-related, diseases in human beings or animals, particularly diseases related to the 5-HT2c receptor, especially diseases such as eating disorders, memory disorders, schizophrenia, mood disorders, anxiety disorders, pain, sexual dysfunctionions, and urinary disorders.
    通式(I)的化合物: 其中变量如规范中定义的那样,对于预防或治疗人类或动物中与血清素相关,特别是5-HT2受体相关的疾病是有用的,特别是与5-HT2c受体相关的疾病,尤其是与进食障碍、记忆障碍、精神分裂症、情绪障碍、焦虑障碍、疼痛、性功能障碍和尿液障碍等疾病相关的疾病。
  • Heterocyclic compounds as P2X7 ion channel blockers
    申请人:Shum Patrick
    公开号:US20050026916A1
    公开(公告)日:2005-02-03
    The present invention relates to a novel series of 4,5-diphenyl-2-amino-4,5-dihydro-imidazole derivatives of the formula II: wherein R, R 1 , R 2 , R 3 , R 4 , R 5 , X and Y are as defined herein. This invention also relates to methods of making these compounds. The compounds of this invention are P2X7 ion channel blockers and are therefore useful as pharmaceutical agents, especially in the treatment and/or prevention of a variety of diseases having an inflammatory component, including inflammatory bowel disease, rheumatoid arthritis and disease conditions associated with the central nervous system, such as stroke, Alzheimer's disease, etc.
    本发明涉及一种新的4,5-二苯基-2-氨基-4,5-二氢咪唑衍生物系列,其化学式为II: 其中R、R1、R2、R3、R4、R5、X和Y如本文所定义。本发明还涉及制备这些化合物的方法。本发明的化合物是P2X7离子通道阻断剂,因此在作为药用剂方面具有用途,特别是在治疗和/或预防具有炎症成分的各种疾病方面,包括炎症性肠病、类风湿关节炎以及与中枢神经系统相关的疾病状况,如中风、阿尔茨海默病等。
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表征谱图

  • 氢谱
    1HNMR
  • 质谱
    MS
  • 碳谱
    13CNMR
  • 红外
    IR
  • 拉曼
    Raman
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mass
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  • 峰位数据
  • 峰位匹配
  • 表征信息
Shift(ppm)
Intensity
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Assign
Shift(ppm)
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测试频率
样品用量
溶剂
溶剂用量
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