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2-(4-trifluoromethylbenzyloxy)-3-methylbenzoic acid | 351415-05-9

中文名称
——
中文别名
——
英文名称
2-(4-trifluoromethylbenzyloxy)-3-methylbenzoic acid
英文别名
3-methyl-2-[[4-(trifluoromethyl)phenyl]methoxy]benzoic acid
2-(4-trifluoromethylbenzyloxy)-3-methylbenzoic acid化学式
CAS
351415-05-9
化学式
C16H13F3O3
mdl
——
分子量
310.273
InChiKey
DSPFCZDREVURBI-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):
    4.2
  • 重原子数:
    22
  • 可旋转键数:
    4
  • 环数:
    2.0
  • sp3杂化的碳原子比例:
    0.19
  • 拓扑面积:
    46.5
  • 氢给体数:
    1
  • 氢受体数:
    6

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

反应信息

  • 作为产物:
    描述:
    methyl 2-(4-trifluoromethylbenzyloxy)-3-methylbenzoate正己烷乙酸乙酯Sodium sulfate-III 作用下, 以 氢氧化锂 为溶剂, 反应 72.0h, 以to give the title acid as a white solid, m.p. 104-106° C.的产率得到2-(4-trifluoromethylbenzyloxy)-3-methylbenzoic acid
    参考文献:
    名称:
    Carboxamides useful as inhibitors of microsomal triglyceride transfer protein and of apolipoprotein b secretion
    摘要:
    化合物的公式(I),其中R2-C,R3-C,R4-C或R5-C可以被N替换;其中n为1、2或3; R1为芳基、杂环芳基或(芳基或杂环芳基)-较低烷氧基; R2、R3、R4和R5独立地为氢、较低烷基、较低烷氧基、卤素、三氟甲基或氰基; R6为(i)或(ii),m为1、2或3; R7为氢、较低烷基(芳基或杂环芳基)-较低烷基、较低烷氧基、(芳基或杂环芳基)-较低烷氧基、羟基、氧代、较低烷二氧基或较低烷酰氧基; W为O、S或NR8; R8为-CORa、(iii)、-COORd、-SO2Re、氢、可选择性取代的较低烷基、芳基、杂环芳基或(芳基或杂环芳基)-较低烷基; Ra、Rd和Re独立地为可选择性取代的较低烷基、环烷基、金刚烷基、芳基、杂环芳基或(芳基或杂环芳基)-较低烷基; Rb和Rc独立地为氢、环烷基、可选择性取代的较低烷基、芳基、杂环芳基或(芳基或杂环芳基)较低烷基;或Rb和Rc共同代表较低烷基;以及其药学上可接受的盐;和其对映异构体;这些化合物可用作微粒体甘油三酯转移蛋白(MTP)和载脂蛋白B(apoB)分泌的抑制剂。
    公开号:
    US06878707B2
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文献信息

  • Carboxamides useful as inhinitors of microsomal triglyceride transfer protein and of apolipoprotein b secretion
    申请人:——
    公开号:US20030109700A1
    公开(公告)日:2003-06-12
    1 Compounds of formula (1) wherein R 2 —C, R 3 —C, R 4 —C or R 5 —C may be replaced by N; and wherein n is 1, 2 or 3; R 1 is aryl, heteroaryl or (aryl or heteroaryl)-lower alkoxy; R 2 , R 3 , R 4 and R 5 are independently hydrogen, lower alkyl, lower alkoxy, halo, trifluoromethyl or cyano; R 6 is (i) or (ii) m is 1, 2 or 3; R 7 is hydrogen, lower alkyl (aryl or heteroaryl)-lower alkyl, lower alkoxy, (aryl or heteroaryl)-lower alkoxy, hydroxy, oxo, lower alkylenedioxy or lower alkanoyloxy; W is O, S or NR 8 ; R 8 is —COR a , (iii), —COOR d , —SO 2 R e , hydrogen, optionally substituted lower alkyl, aryl, heteroaryl or (aryl or heteroaryl)-lower alkyl; R a , R d and R e , are independently optionally substituted lower alkyl, cycloalkyl, adamantyl, aryl, heteroaryl or (aryl or heteroaryl)-lower alkyl; R b and R c are independently hydrogen, cycloalkyl, optionally substituted lower alkyl, aryl, heteroaryl or (aryl or heteroaryl) lower alkyl; or R b and R c together represent lower alkylene; and pharmaceutically acceptable salts thereof; and enantiomers thereof; which are useful as inhibitors of microsomal triglyceride transfer protein (MTP) and of apolipoprotein B (apoB) secretion.
    式(1)的化合物中,其中R2—C,R3—C,R4—C或R5—C可以被N取代;其中n为1、2或3;R1为芳基,杂环芳基或(芳基或杂环芳基)-较低烷氧基;R2、R3、R4和R5独立地为氢、较低烷基、较低烷氧基、卤素、三氟甲基或氰基;R6为(i)或(ii)m为1、2或3;R7为氢、较低烷基(芳基或杂环芳基)-较低烷基、较低烷氧基、(芳基或杂环芳基)-较低烷氧基、羟基、氧代、较低烷二氧基或较低烷酰氧基;W为O、S或NR8;R8为—CORa、(iii)、—COORd、—SO2Re、氢、可选择取代的较低烷基、芳基、杂环芳基或(芳基或杂环芳基)-较低烷基;Ra、Rd和Re独立地为可选择取代的较低烷基、环烷基、脱氢脂肪基、芳基、杂环芳基或(芳基或杂环芳基)-较低烷基;Rb和Rc独立地为氢、环烷基、可选择取代的较低烷基、芳基、杂环芳基或(芳基或杂环芳基)较低烷基;或Rb和Rc一起代表较低烷基;以及其药学上可接受的盐;以及其对映体;它们可用作微粒体三酰甘油转移蛋白(MTP)和载脂蛋白B(apoB)分泌的抑制剂。
  • CARBOXAMIDES USEFUL AS INHIBITORS OF MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN AND OF APOLIPOPROTEIN B SECRETION
    申请人:Novartis AG
    公开号:EP1259484B1
    公开(公告)日:2005-05-18
  • US6878707B2
    申请人:——
    公开号:US6878707B2
    公开(公告)日:2005-04-12
  • [EN] CARBOXAMIDES USEFUL AS INHIBITORS OF MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN AND OF APOLIPOPROTEIN B SECRETION<br/>[FR] CARBOXAMIDES UTILISES COMME INHIBITEURS DE PROTEINE DE TRANSFERT TRIGLYCERIDIQUE MICROSOMIQUE ET DE LA SECRETION D'APOLIPOPROTEINE B
    申请人:NOVARTIS AG
    公开号:WO2001053260A1
    公开(公告)日:2001-07-26
    Compounds of formula (I) wherein R2-C, R3-C, R4-C or R5-C may be replaced by N; and wherein n is 1, 2 or 3; R1 is aryl, heteroaryl or (aryl or heteroaryl)-lower alkoxy; R2, R3, R4 and R5 are independently hydrogen, lower alkyl, lower alkoxy, halo, trifluoromethyl or cyano; R6 is (i) or (ii) m is 1, 2 or 3; R7 is hydrogen, lower alkyl (aryl or heteroaryl)-lower alkyl, lower alkoxy, (aryl or heteroaryl)-lower alkoxy, hydroxy, oxo, lower alkylenedioxy or lower alkanoyloxy; W is O, S or NR8; R8 is -CORa, (iii), -COORd, -SO2Re, hydrogen, optionally substituted lower alkyl, aryl, heteroaryl or (aryl or heteroaryl)-lower alkyl; Ra, Rd and Re are independently optionally substituted lower alkyl, cycloalkyl, adamantyl, aryl, heteroaryl or (aryl or heteroaryl)-lower alkyl; Rb and Rc are independently hydrogen, cycloalkyl, optionally substituted lower alkyl, aryl, heteroaryl or (aryl or heteroaryl) lower alkyl; or Rb and Rc together represent lower alkylene; and pharmaceutically acceptable salts thereof; and enantiomers thereof; which are useful as inhibitors of microsomal triglyceride transfer protein (MTP) and of apolipoprotein B (apoB) secretion.
  • Carboxamides useful as inhibitors of microsomal triglyceride transfer protein and of apolipoprotein b secretion
    申请人:Ksander Gary Michael
    公开号:US06878707B2
    公开(公告)日:2005-04-12
    Compounds of formula (I) wherein R 2 —C, R 3 —C, R 4 —C or R 5 —C may be replaced by N; and wherein n is 1, 2 or 3; R 1 is aryl, heteroaryl or (aryl or heteroaryl)-lower alkoxy; R 2 , R 3 , R 4 and R 5 are independently hydrogen, lower alkyl, lower alkoxy, halo, trifluoromethyl or cyano; R 6 is (i) or (ii) m is 1, 2 or 3; R 7 is hydrogen, lower alkyl (aryl or heteroaryl)-lower alkyl, lower alkoxy, (aryl or heteroaryl)-lower alkoxy, hydroxy, oxo, lower alkylenedioxy or lower alkanoyloxy; W is O, S or NR 8 ; R 8 is —COR a , (iii), —COOR d , —SO 2 R e , hydrogen, optionally substituted lower alkyl, aryl, heteroaryl or (aryl or heteroaryl)-lower alkyl; R a , R d and R e are independently optionally substituted lower alkyl, cycloalkyl, adamantyl, aryl, heteroaryl or (aryl or heteroaryl)-lower alkyl; R b and R c are independently hydrogen, cycloalkyl, optionally substituted lower alkyl, aryl, heteroaryl or (aryl or heteroaryl) lower alkyl; or R b and R c together represent lower alkylene; and pharmaceutically acceptable salts thereof; and enantiomers thereof; which are useful as inhibitors of microsomal triglyceride transfer protein (MTP) and of apolipoprotein B (apoB) secretion.
    化合物的公式(I),其中R2-C,R3-C,R4-C或R5-C可以被N替换;其中n为1、2或3; R1为芳基、杂环芳基或(芳基或杂环芳基)-较低烷氧基; R2、R3、R4和R5独立地为氢、较低烷基、较低烷氧基、卤素、三氟甲基或氰基; R6为(i)或(ii),m为1、2或3; R7为氢、较低烷基(芳基或杂环芳基)-较低烷基、较低烷氧基、(芳基或杂环芳基)-较低烷氧基、羟基、氧代、较低烷二氧基或较低烷酰氧基; W为O、S或NR8; R8为-CORa、(iii)、-COORd、-SO2Re、氢、可选择性取代的较低烷基、芳基、杂环芳基或(芳基或杂环芳基)-较低烷基; Ra、Rd和Re独立地为可选择性取代的较低烷基、环烷基、金刚烷基、芳基、杂环芳基或(芳基或杂环芳基)-较低烷基; Rb和Rc独立地为氢、环烷基、可选择性取代的较低烷基、芳基、杂环芳基或(芳基或杂环芳基)较低烷基;或Rb和Rc共同代表较低烷基;以及其药学上可接受的盐;和其对映异构体;这些化合物可用作微粒体甘油三酯转移蛋白(MTP)和载脂蛋白B(apoB)分泌的抑制剂。
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