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5,5,5-trichloropentan-1-ol | 4189-04-2

中文名称
——
中文别名
——
英文名称
5,5,5-trichloropentan-1-ol
英文别名
5,5,5-trichloro-pentan-1-ol;5,5,5-Trichlor-pentan-1-ol;1,1,1-trichloroethane-n-propanol;chloroform - butanol;1,1,1-Trichlor-5-hydroxy-pentan;1,1,1-Trichlor-5-oxy-pentan
5,5,5-trichloropentan-1-ol化学式
CAS
4189-04-2
化学式
C5H9Cl3O
mdl
——
分子量
191.485
InChiKey
RFBXGJAHBNTASQ-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

  • 沸点:
    112.0-112.5 °C(Press: 10 Torr)
  • 密度:
    1.3431 g/cm3

计算性质

  • 辛醇/水分配系数(LogP):
    1.9
  • 重原子数:
    9
  • 可旋转键数:
    3
  • 环数:
    0.0
  • sp3杂化的碳原子比例:
    1.0
  • 拓扑面积:
    20.2
  • 氢给体数:
    1
  • 氢受体数:
    1

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

  • 作为反应物:
    描述:
    5,5,5-trichloropentan-1-ol四甲基氯化铵 作用下, 以 甲醇 为溶剂, 生成 5-氯-1-戊醇
    参考文献:
    名称:
    Electrolytic Method of Converting an Aliphatic Trichloromethyl Group into a Dichloromethyl or Monochloromethyl Group
    摘要:
    DOI:
    10.1021/ja00966a058
  • 作为产物:
    描述:
    acetic acid-(5,5,5-trichloro-pentyl ester) 在 盐酸 作用下, 生成 5,5,5-trichloropentan-1-ol
    参考文献:
    名称:
    The inhibition effect of inorganic compounds on the corrosion of the 3003 aluminium alloy in the presence of sodium chloride
    摘要:
    本研究涉及Li+、Mg2+、MoO4对3003铝合金在3% NaCl溶液中的腐蚀抑制作用2-、NO2- 和 CrO42- 离子。使用的方法是极化曲线的测定和表面状况的金相检查。结果表明,测试的离子对腐蚀过程有抑制作用。对这些离子效果的比较研究表明,在25至65°的温度范围内,Mg2+离子是最有效的离子C.抑制效率随着这些离子浓度的增加而增加,对于 5 × 10-2 合金达到最大值 86%。结果,点蚀电位和腐蚀电位之间的差距变得更大。在 75°C 时,Mg2+ 离子往往会刺激所考虑的氯化物溶液中 3003 合金的腐蚀。
    DOI:
    10.1051/metal:2002192
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文献信息

  • FUSED IMIDAZOLE DERIVATIVE
    申请人:Masaki Hidekazu
    公开号:US20130065896A1
    公开(公告)日:2013-03-14
    Provided is a novel compound which shows an antagonistic effect against T-type calcium channels, and is useful as a pharmaceutical product. A compound represented by general formula (I), and a pharmaceutical agent containing the same, are disclosed: wherein n represents the number of nitrogen atoms contained in the 6-membered fused aromatic ring, and is 0, 1 or 2; p represents the number of nitrogen atoms contained in the 6-membered aromatic ring, and is 0 or 1; X represents an oxygen atom, —SO 2 — or —N(R 9 )—; and R 1 to R 5 each represents a hydrogen atom or other substituents.
    提供了一种新型化合物,对T型钙通道显示出拮抗作用,并且可用作药用产品。公开了一种由通用公式(I)表示的化合物和含有该化合物的药用剂:其中n代表6元融合芳香环中含有的氮原子数,为0、1或2;p代表6元芳香环中含有的氮原子数,为0或1;X代表氧原子,-SO2-或-N(R9)-;R1到R5分别代表氢原子或其他取代基。
  • METHOD FOR PRODUCING CYCLIC CARBONATE
    申请人:NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY
    公开号:US20160145234A1
    公开(公告)日:2016-05-26
    Provided is a method for producing a cyclic carbonate obtained by reacting epoxide and carbon dioxide, the method being capable of efficiently producing a cyclic carbonate at a high conversion rate and a high yield, in which degradation of the catalyst over time is suppressed and catalytic activity hardly decreases. A method for producing a cyclic carbonate by reacting epoxide and carbon dioxide in the presence of a quaternary onium salt selected from the group consisting of a quaternary ammonium salt having a halogenated anion as a counter ion and a quaternary phosphonium salt having a halogenated anion as a counter ion, or in the presence of a solid catalyst obtained by immobilizing the quaternary onium salt onto a carrier, wherein an organohalogen compound containing at least one halogen atom in one molecule is added to the reaction system.
    提供了一种生产环状碳酸酯的方法,该方法通过反应环氧化物和二氧化碳获得,能够高效地以高转化率和高产率生产环状碳酸酯,同时抑制催化剂随时间降解并且催化活性几乎不会下降。在存在从属于具有卤素阴离子作为对离子的季铵盐和具有卤素阴离子作为对离子的季膦盐中选择的季铵盐,或者存在通过将季铵盐固定在载体上而获得的固体催化剂的情况下,通过在反应体系中添加含有至少一个卤素原子的有机卤素化合物来生产环状碳酸酯的方法。
  • [EN] CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS<br/>[FR] COMPOSÉS DE CARBOXAMIDE ET LEUR UTILISATION EN TANT QU'INHIBITEURS DE LA CALPAÏNE
    申请人:ABBOTT GMBH & CO KG
    公开号:WO2010128102A1
    公开(公告)日:2010-11-11
    The present invention relates to novel carboxamide compounds and their use for the manufacture of a medicament. The carboxamide compounds are inhibitors of calpain (calcium dependant cysteine proteases). The invention therefore also relates to the use of these carboxamide compounds for treating a disorder associated with an elevated calpain activity. The carboxamide compounds are compounds of the general formula (I) in which R1, R2, R3a, R3b, R4, Q, Y, A and X have the meanings mentioned in the claims and the description, the tautomers thereof and the pharmaceutically suitable salts thereof. In particular, the compounds have the general formula (Ia) and (Ib) in which R1, r, R2b, R3a, R3b, R4, Y and X have the meanings mentioned in the claims, including the tautomers thereof and the pharmaceutically suitable salts thereof. Of these compounds those are preferred wherein Y is a moiety CH2-CH2, CH2-CH2-CH2, N(Ry#)-CH2, N(Ry#)-CH2-CH2 or CH=CH-CH=, each optionally having 1 or 2 H-atoms replaced with identical or different radicals Ry, wherein Ry and Ry# have the meanings mentioned in the claims.
    本发明涉及新型羧酰胺化合物及其用于制备药物的用途。这些羧酰胺化合物是钙蛋白酶(依赖于钙的半胱氨酸蛋白酶)的抑制剂。因此,该发明还涉及利用这些羧酰胺化合物治疗与升高的钙蛋白酶活性相关的疾病。这些羧酰胺化合物是通式(I)的化合物,其中R1、R2、R3a、R3b、R4、Q、Y、A和X具有权利要求和说明中提及的含义,以及它们的互变异构体和药用盐。特别地,这些化合物具有通式(Ia)和(Ib),其中R1、r、R2b、R3a、R3b、R4、Y和X具有权利要求中提及的含义,包括它们的互变异构体和药用盐。在这些化合物中,首选Y是一个基团CH2-CH2、CH2-CH2-CH2、N(Ry#)-CH2、N(Ry#)-CH2-CH2或CH=CH-CH=,每个基团可选择地用1或2个氢原子替换为相同或不同的基团Ry,其中Ry和Ry#具有权利要求中提到的含义。
  • [EN] CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS V<br/>[FR] COMPOSÉS CARBOXAMIDES ET LEUR UTILISATION COMME INHIBITEURS DE CALPAÏNE V
    申请人:ABBVIE DEUTSCHLAND
    公开号:WO2013149800A1
    公开(公告)日:2013-10-10
    The present invention relates to novel carboxamide compounds and their use for the manufacture of a medicament. The carboxamide compounds are inhibitors of calpain (calcium dependant cysteine proteases). The invention therefore also relates to the use of these carboxamide compounds for treating a disorder associated with an elevated calpain activity. The carboxamide compounds are compounds of the general formula (I) in which R1, R2 and n have the meanings mentioned in the claims and the description, Y is a radical of the formulae (Y1) or (Y2) where # indicates the point of attachment of Y to the pyridine ring, R3, R4, R5, Ry and m have the meanings mentioned in the claims and the description, A is is (CH2)p with p being 1, 2, 3 or 4, where one or two hydrogen atoms may be replaced by a radical R6, where A is attached to the 3-or 4-positon of the pyrazole radical and R6 has the meaning mentioned in the claims and the description; A1 is (CH2)q with q being 0, 1, 2 or 3, where one or two hydrogen atoms may be replaced by halogen or C1-C4-alkyl; and A2 is (CH2)r with r being 0, 1, 2 or 3, where one or two hydrogen atoms may be replaced by halogen or C1-C4-alkyl, provided that that r + q is 2, 3, 4, 5 or 6; their tautomers, the hydrates thereof, the pharmaceutically suitable salts of the carbox-amide compounds (I), the prodrugs of (I) and the pharmaceutically suitable salts of the prodrugs, tautomers or hydrates of (I).
    本发明涉及新型羧酰胺化合物及其用于制备药物的用途。这些羧酰胺化合物是钙依赖性半胱氨酸蛋白酶(calpain)的抑制剂。因此,本发明还涉及使用这些羧酰胺化合物治疗与升高的calpain活性相关的疾病。这些羧酰胺化合物是通式(I)的化合物,其中R1、R2和n具有所述权利要求和说明中提到的含义,Y是式(Y1)或(Y2)的基团,其中#表示Y与吡啶环的连接点,R3、R4、R5、Ry和m具有所述权利要求和说明中提到的含义,A是(CH2)p,其中p为1、2、3或4,其中一个或两个氢原子可以被基团R6取代,其中A连接到吡唑基团的3或4位,R6具有所述权利要求和说明中提到的含义;A1是(CH2)q,其中q为0、1、2或3,其中一个或两个氢原子可以被卤素或C1-C4烷基取代;A2是(CH2)r,其中r为0、1、2或3,其中一个或两个氢原子可以被卤素或C1-C4烷基取代,前提是r+q为2、3、4、5或6;它们的互变异构体、水合物、药学上适用的羧酰胺化合物(I)的盐、(I)的前药和前药的药学上适用的盐、互变异构体或水合物。
  • Ring opening alkylation of cyclic ethers with α-halogenoalkyllithiums in the presence of boron trifluoride–diethyl ether
    作者:Toshiro Imai、Shinya Nishida、Takashi Tsuji
    DOI:10.1039/c39940002353
    日期:——
    It is demonstrated for the first time that α-halogenoalkyllithium reagents can be utilized for ring opening alkylation of various oxiranes, oxtane and oxolane (THF) in the presence of boron trifluoride–diethyl ether at low temperatures.
    首次证明,α-卤代烷基锂试剂可在低温下在三氟化硼-乙醚存在下用于各种环氧乙烷,环氧乙烷和环氧丙烷(THF)的开环烷基化。
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