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ortho-(trichloromethyl)phenol | 69911-63-3

中文名称
——
中文别名
——
英文名称
ortho-(trichloromethyl)phenol
英文别名
2-trichloromethylphenol;2-(Trichloromethyl)phenol
ortho-(trichloromethyl)phenol化学式
CAS
69911-63-3
化学式
C7H5Cl3O
mdl
——
分子量
211.475
InChiKey
OLXZIGFHNNMHOE-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

计算性质

  • 辛醇/水分配系数(LogP):
    3.5
  • 重原子数:
    11
  • 可旋转键数:
    0
  • 环数:
    1.0
  • sp3杂化的碳原子比例:
    0.14
  • 拓扑面积:
    20.2
  • 氢给体数:
    1
  • 氢受体数:
    1

文献信息

  • Acid- and radical-generating agent and method for generating acid and radical
    申请人:FUJIFILM Wako Pure Chemical Corporation
    公开号:US10451967B2
    公开(公告)日:2019-10-22
    It is a subject of the present invention to provide an acid- and radical-generating agent which has high sensitivity to an active energy ray having a wavelength of around 300 to 450 nm, and can exert both high acid-generating performance and high radical-generating performance, and has heat resistance; and a method for generating an acid and a radical. The present invention relates to a compound represented by the general formula (A); an acid- and radical-generating agent comprising the compound; and a method for generating an acid and a radical: wherein n pieces of R1 each independently represent an alkyl group, which may have a specific functional group in the chain, or in which a hydrogen atom may be substituted by a halogen atom; an alkoxy group, in which a hydrogen atom may be substituted by a halogen atom; an aryl group or an aryloxy group, in which a hydrogen atom may be substituted by a halogen atom, an alkyl group or a haloalkyl group; or an arylalkyl group or an arylalkyloxy group, in which a hydrogen atom may be substituted by a halogen atom, an alkyl group or a haloalkyl group; n pieces of R2 and R3 each independently represent a hydrogen atom, an alkyl group or an alkoxycarbonyl group; R4 to R7 each independently represent a hydrogen atom, a halogen atom, an alkyl group, an alkoxy group, an alkenyl group, an aryl group, an alkoxycarbonyl group, a dialkylamino group or a nitro group; Y represents an oxygen atom, a sulfur atom, or a carbonyl group; n pieces of Z each independently represent a sulfonyl group or an alkoxyphosphoryl group; n represents 1 or 2.
    本发明的一个目的是提供一种对波长约为300至450纳米的活性能量射线具有高灵敏度的酸和自由基生成剂,能够发挥高酸生成性能和高自由基生成性能,并具有耐热性;以及一种生成酸和自由基的方法。本发明涉及一种由通式(A)表示的化合物;包括该化合物的酸和自由基生成剂;以及生成酸和自由基的方法:其中n个R1分别独立表示一种烷基基团,该烷基基团可能在链中具有特定的功能基团,或者氢原子可能被卤原子取代;一种烷氧基团,其中氢原子可能被卤原子取代;一种芳基或芳氧基,其中氢原子可能被卤原子,烷基或卤代烷基取代;或一种芳基烷基或芳基氧基,其中氢原子可能被卤原子,烷基或卤代烷基取代;n个R2和R3分别独立表示氢原子,烷基基团或烷氧羰基团;R4到R7分别独立表示氢原子,卤原子,烷基基团,烷氧基团,烯基基团,芳基,烷氧羰基团,二烷基氨基团或硝基;Y表示氧原子,硫原子或羰基;n个Z分别独立表示磺酰基或烷氧基磷酰基;n表示1或2。
  • Peptides capable of inhibiting the activity of HIV protease, their preparation and their therapeutic use
    申请人:SANKYO COMPANY LIMITED
    公开号:EP0587311A1
    公开(公告)日:1994-03-16
    Compounds of formula (I) : [wherein: R¹ is hydrogen, alkyl, aralkyl, -CORa, -CORb, -CSRa, -CSRb, -SO₂Rb, -CONHRb, -CSNHRb, -CONRbRb or -CSNRbRb; R² is hydrogen or alkyl; R³ is hydrogen, alkylidene, substituted alkyl, or Rb; R⁴ is optionally substituted alkyl, cycloalkyl, or aryl; R⁵ is RbO-, RbRbN-, RbHN-, aralkyloxycarbonyloxy or aralkyloxycarbonylamino, or R⁵ is -(CH₂)p-D-(CH₂)r- [where D is a single bond, carbonyl, oxygen, sulphur, -NH-, -(CH₂=CH₂)- or -NHCO-; and p and r are each 0 or an integer from 1 to 5]; A is -(CH₂)m-B-(CH₂)n- [where B is a single bond, carbonyl, oxygen, sulphur, -NH-, -(CH₂=CH₂)- or -NHCO-; and m and n are each 0 or an integer from 1 to 5]; Ra is alkoxy, aralkyloxy, aryloxy or alkoxycarbonyl; Rb is optionally substituted alkyl, cycloalkyl, heterocyclic, aryl or arylalkenyl]; and pharmaceutically acceptable salts and esters thereof and pro-drugs therefor, have the ability to inhibit the activity of HIV protease and may thus be used for the treatment and prophylaxis of AIDS.
    化合物的化学式为(I):[其中:R¹为氢,烷基,芳基烷基,-CORa,-CORb,-CSRa,-CSRb,-SO₂Rb,-CONHRb,-CSNHRb,-CONRbRb或-CSNRbRb;R²为氢或烷基;R³为氢,烷基亚甲基,取代烷基或Rb;R⁴为可选取代的烷基,环烷基或芳基;R⁵为RbO-,RbRbN-,RbHN-,芳基烷氧羰氧基氧或芳基烷氧羰氨基,或R⁵为-(CH₂)p-D-(CH₂)r- [其中D为单键,酰基,氧,硫,-NH-,-(CH₂=CH₂)-或-NHCO-;p和r分别为0或1到5的整数];A为-(CH₂)m-B-(CH₂)n- [其中B为单键,酰基,氧,硫,-NH-,-(CH₂=CH₂)-或-NHCO-;m和n分别为0或1到5的整数];Ra为烷氧基,芳基烷氧基,芳氧基或烷氧羰基;Rb为可选取代的烷基,环烷基,杂环,芳基或芳基烷烯基];以及其药学上可接受的盐和酯以及其前药,具有抑制HIV蛋白酶活性的能力,因此可用于治疗和预防艾滋病。
  • Method for producing an olefin type copolymer having a cyclic structure
    申请人:MARUZEN PETROCHEMICAL CO., LTD.
    公开号:US20020058767A1
    公开(公告)日:2002-05-16
    A method for producing an olefin type copolymer having a cyclic structure, which comprises copolymerizing ethylene (M1) and dicyclopentadiene or tricyclopentadiene (M2), and, as optionally introduced, a cyclic olefin (M3), wherein, as a catalyst, a catalyst comprising a metallocene compound (A) of the following formula [1]: H 2 C(R′ m CP)(R″ n Cp)Mx 2 [1] wherein M is zirconium or hafnium, Cp is a group having a cyclopentadienyl skeleton, each of R′ and R″ is a hydrocarbon group having 1 to 10 carbon atoms, each of two X's which may be the same or different from each other, is a halogen atom, a hydrogen atom, a hydrocarbon group having 1 to 20 carbon atoms, a halogenated hydrocarbon group, an alkylamino group, an alkoxy group, an aryloxy group of the formula —O—Ar—Y p (wherein Ar is an aromatic ring, Y is a halogen atom, a hydrogen atom, a hydrocarbon group having 1 to 20 carbon atoms, a halogenated hydrocarbon group, an alkoxy group, an alkylamino group, a cyano group or a nitro group, and p is an integer of from 1 to 5), a thioalkyl group, or a thioaryl group of the formula —S—Ar—Y p (wherein Ar, Y and p are as defined above), and each of m and n is an integer of from 0 to 4, provided that m and n are not equal, and m+n is an integer of from 3 to 6, and an aluminoxane (B), is used.
    一种制备具有环状结构的烯烃共聚物的方法,包括共聚乙烯(M1)和二环戊二烯或三环戊二烯(M2),以及作为可选引入的环状烯烃(M3),其中,作为催化剂使用以下式子(1)的金属茂化合物(A):H2C(R′mCP)(R″nCp)Mx2(1),其中M为锆或铪,Cp为具有环戊二烯基骨架的基团,R′和R″各自为具有1至10个碳原子的碳氢基团,两个X可以相同也可以不同,是卤素原子、氢原子、具有1至20个碳原子的碳氢基团、卤代碳氢基团、烷基氨基基团、烷氧基、苯氧基(式中Ar为芳香环,Y为卤素原子、氢原子、具有1至20个碳原子的碳氢基团、卤代碳氢基团、烷氧基、烷基氨基基团、氰基或硝基,p为1至5的整数),硫代烷基团或硫代芳基团(式中Ar、Y和p如上所述),m和n各自为0至4的整数,但m和n不相等,且m+n为3至6的整数,并使用铝烷氧化物(B)。
  • NON-AQUEOUS ELECTROLYTE SOLUTION AND ELECTRICITY-STORAGE DEVICE USING SAME
    申请人:Abe Koji
    公开号:US20140030610A1
    公开(公告)日:2014-01-30
    The present invention provides a nonaqueous electrolytic solution capable of improving electrochemical characteristics at high temperatures, which comprises at least one organic phosphorus compound represented by the following general formula (I), an energy storage device using the nonaqueous electrolytic solution, and a specific organic phosphorus compound. (In the formula, R 1 and R 2 each independently represent an alkyl group, a cycloalkyl group, an alkenyl group, an alkynyl group, an alkoxy group, a cycloalkoxy group, an alkenyloxy group, an alkynyloxy group, a halogenoalkyl group, a halogenoalkoxy group, an aryl group, or an aryloxy group; R 3 and R 4 each independently represent a hydrogen atom, a halogen atom, or an alkyl group; m is an integer of from 1 to 4, n is 0 or 1, q is 1 or 2. When q is 1 and n is 0, X represents an alkoxy group, an alkynyloxy group, an alkyloxyalkoxy group, an aryloxy group, etc.; when q is 1 and n is 1, X represents an alkyl group, an alkynyl group, an alkoxy group, an alkynyloxy group, an alkyloxyalkoxy group, etc.; and when q is 2, X represents —O-L 3 -O—, —OC(═O)—C(═O)O—, or a single bond.)
    本发明提供了一种非水电解质溶液,该溶液能够在高温下改善电化学特性,其中包括至少一种由以下一般式(I)表示的有机磷化合物,使用该非水电解质溶液的储能装置以及特定的有机磷化合物。(在公式中,R1和R2各自独立地表示烷基、环烷基、烯基、炔基、烷氧基、环烷氧基、烯氧基、炔氧基、卤代烷基、卤代烷氧基、芳基或芳氧基;R3和R4各自独立地表示氢原子、卤素原子或烷基;m为1到4的整数,n为0或1,q为1或2。当q为1且n为0时,X表示烷氧基、炔氧基、烷氧基烷氧基、芳氧基等;当q为1且n为1时,X表示烷基、炔基、烷氧基、炔氧基、烷氧基烷氧基等;当q为2时,X表示-O-L3-O-、-OC(═O)-C(═O)O-或单键。)
  • Polymerization of norbornene derivatives and catalytic system suitable for use therein
    申请人:SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V.
    公开号:EP0336486A2
    公开(公告)日:1989-10-11
    A process for the polymerization of norbornene derivatives, which comprises contacting the monomer(s) with a catalytic system, obtainable by combining the following two components: component 1 - a tungsten compound obtainable by combining a tungsten halide with a phenol compound which is not substituted with a bulky alkyl group at the positions ortho with respect to the hydroxyl group, and component 2 - one or more compounds of the general formula: in which Q represents Sn or Si, in which R¹ , R² and R³ each represent an option­ally substituted alkyl group having in the range of from 1 to 20 carbon atoms, an optionally substituted cycloalkyl group having in the range of from 3 to 6 carbon atoms in the cycloalkyl ring or an optionally substituted phenyl group and in which R¹ and R² each may also represent hydrogen. A catalyst system to be used for said process and copolymers obtained by this process.
    一种降冰片烯衍生物的聚合工艺,包括将单体与催化系统接触,该催化系统可由以下两种成分组合而成: 组分 1--钨化合物,可通过将卤化钨与苯酚化合物结合而获得,苯酚化合物在羟基的正交位置上未被大烷基取代,以及 成分 2 - 一种或多种通式化合物: 其中 Q 代表 Sn 或 Si,R¹、R² 和 R³ 分别代表 1 至 20 个碳原子的任选取代的烷基、环烷基环上有 3 至 6 个碳原子的任选取代的环烷基或任选取代的苯基,其中 R¹ 和 R² 还可分别代表氢。 用于上述工艺的催化剂体系以及通过该工艺获得的共聚物。
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