methyl 3-amino-4,4,4-trifluoro-3-methylbutanoate | 3834-44-4

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: methyl 3-amino-4,4,4-trifluoro-3-methylbutanoate
• 英文别名: methyl-3-amino-3-methyl-4,4,4-trifluorobutyrate；3-Amino-3-trifluormethyl-buttersaeure-methylester
• CAS: 3834-44-4
• 化学式: C₆H₁₀F₃NO₂
• 分子量: 185.146
• InChiKey: NZFGFUVBYXJHTE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  52.3
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  环氧乙烷 、 methyl 3-amino-4,4,4-trifluoro-3-methylbutanoate 在 溶剂黄146 作用下， 生成 3-<2-Hydroxy-aethylamino>-3-trifluormethyl-buttersaeure-methylester
  参考文献：
  名称：

  Unsaturated acids containing a trifluoromethyl group

  摘要：

  DOI：

  10.1007/bf00909170
• 作为产物：
  描述：

  4-methyl-4-trifluoromethyl-oxetan-2-one 在 硫酸 、 氨 作用下， 生成 methyl 3-amino-4,4,4-trifluoro-3-methylbutanoate
  参考文献：
  名称：

  Unsaturated acids containing a trifluoromethyl group

  摘要：

  DOI：

  10.1007/bf00909170

文献信息

• Cyclic diones
  申请人：May & Baker Limited

  公开号：US05114461A1

  公开（公告）日：1992-05-19

  A 2-benzoylcyclic-1,3-dione derivative of the formula: ##STR1## wherein X represents methylene, oxygen, sulphur or --NR.sup.4 --, Y represents --C(R.sup.5) (R.sup.6)-- or oxygen, R.sup.1 represents hydrogen or alkyl optionally substituted by halogen or represents cycloalkyl, R.sup.2 represents hydrogen or R.sup.7 or R.sup.1 and R.sup.2 together represent alkylene, R.sup.3 represents halogen, hydroxy, carboxy, nitro, cyano or amino or carbamoyl (which may be substituted by one or two alkyl groups), alkoxycarbonyl, alkanoyl, or alkanoylamino, R, RO, RS, RSO or RSO.sub.2 in which R represents alkyl optionally substituted by halogen, R.sup.4 represents hydrogen or alkyl or alkoxycarbonyl, R.sup.5 represents hydrogen or alkyl or alkoxycarbonyl, R.sup.6 represents hydrogen or alkyl, R.sup.7 represents alkyl which may be substituted by halogen or alkylthio or by a group (R.sup.8).sub.n -phenyl-S-, or represents cycloalkyl or tetrahydrothiapyran-3-yl or represents a group (R.sup.8).sub.n -phenyl- in which R.sup.8 represents a halogen, hydroxy, carboxy, nitro or cyano, or amino or carbamoyl (which may be substituted by one or two alkyl groups), alkoxycarbonyl or alkanoyl or alkanoylamino or R, RO, RS, RSO or RSO.sub.2 in which R represents alkyl which is optionally substituted by halogen, m is zero or 1 to 5 and n is zero or 1 to 5, provided that when X represents methylene, and Y represents --C(R.sup.5) (R.sup.6)--then R.sup.1 and R.sup.2 do nmot simultaneously represent hydrogen or alkyl and salts thereof are useful as herbicides.

  公式为##STR1##的2-苯甲酰环-1,3-二酮衍生物，其中X代表亚甲基、氧、硫或--NR.sup.4 --，Y代表--C(R.sup.5) (R.sup.6)--或氧，R.sup.1代表氢或烷基，可以选择地被卤素取代，或代表环烷基，R.sup.2代表氢或R.sup.7，或R.sup.1和R.sup.2一起代表烷基，R.sup.3代表卤素、羟基、羧基、硝基、氰基或氨基或羰基（可能被一个或两个烷基取代），烷氧羰基、烷酰基或烷酰氨基，R、RO、RS、RSO或RSO.sub.2中的R代表烷基，可以选择地被卤素取代，R.sup.4代表氢或烷基或烷氧羰基，R.sup.5代表氢或烷基或烷氧羰基，R.sup.6代表氢或烷基，R.sup.7代表烷基，可以被卤素或烷硫基取代，或者由一个基团（R.sup.8).sub.n -苯基-S-取代，或代表环烷基或四氢噻吩-3-基，或代表一个基团（R.sup.8).sub.n -苯基-其中R.sup.8代表卤素、羟基、羧基、硝基或氰基，或氨基或羰基（可能被一个或两个烷基取代），烷氧羰基或烷酰基或烷酰氨基或R、RO、RS、RSO或RSO.sub.2中的R代表烷基，可以选择地被卤素取代，m为零或1至5，n为零或1至5，但当X代表亚甲基，Y代表--C(R.sup.5) (R.sup.6)--时，R.sup.1和R.sup.2不同时代表氢或烷基，其盐可用作除草剂。
• Novel 2,3-Dihydro-1H-imidazopyrimidin-5-one and this 1,2,3,4-tetrahydropyrimidopyrimidin-6-one Derivatives Comprising a Substituted Morpholine, Preparation Thereof and Pharmaceutical Use Thereof
  申请人：SANOFI

  公开号：US20150148328A1

  公开（公告）日：2015-05-28

  The invention relates to the novel products of formula (I) with p, q=0, 1 or 2; R1=phenyl, pyridyl; —(CH 2 ) m —Ra; alkylene; cycloalkyl; heterocycloalkyl; alkyl; —SO 2 —Rb; —CO—Re; m=1 or 2; Ra=aryl, heteroaryl, —CO-cycloalkyl, —CO-heterocycloalkyl, —CO—Rb, —C(Rb)═N—ORc, —CO 2 Rd, —CONRxRy; Rb=alkyl, aryl, heteroaryl; Rc=H, alkyl; Rd=alkyl, cycloalkyl; Re=alkyl, cycloalkyl, aryl, heteroaryl; NRxRy with Rx,Ry=H, alkyl, cycloalkyl, alkoxy, phenyl, or form with N a ring with optionally O, N; R2, R3=H, alkyl, CF 3, or form with C a ring with optionally O, S and N; R4=H, F, Cl, CH 3 or CN; the morpholine is substituted with Me, and optionally substituted with F, OH; or is (Formula 1a) and the isomer of configuration R,R (Formula 1b) these products being in all the isomer forms and the salts, as medicaments, in particular as anticancer medicaments.

  本发明涉及公式（I）的新型产物，其中p，q = 0、1或2；R1 = 苯基、吡啶基；—（CH2）m—Ra；烷基；环烷基；杂环烷基；烷基；—SO2—Rb；—CO—Re；m = 1或2；Ra = 芳基、杂芳基、—CO-环烷基、—CO-杂环烷基、—CO—Rb、—C（Rb）═N—ORc、—CO2Rd、—CONRxRy；Rb = 烷基、芳基、杂芳基；Rc = H、烷基；Rd = 烷基、环烷基；Re = 烷基、环烷基、芳基、杂芳基；NRxRy，其中Rx，Ry = H、烷基、环烷基、烷氧基、苯基，或与N形成一个环，该环可以选择性地含有O、N；R2，R3 = H、烷基、CF3，或与C形成一个环，该环可以选择性地含有O、S和N；R4 = H、F、Cl、CH3或CN；吗啡环以Me取代，或以F、OH取代；或为（公式1a），具有R，R构型的异构体（公式1b）。这些产物以所有的异构体形式和盐形式作为药物，特别是作为抗癌药物。
• 2,3-dihydro-1H-imidazo{1,2-a}pyrimidin-5-one and this 1,2,3,4-tetrahydropyrimido{1,2-a}pyrimidin-6-one derivatives comprising a substituted morpholine, preparation thereof and pharmaceutical use thereof
  申请人：SANOFI

  公开号：US10253043B2

  公开（公告）日：2019-04-09

  The invention relates to the novel products of formula (I) with p, q=0, 1 or 2; R1=phenyl, pyridyl; —(CH2)m—Ra; alkylene; cycloalkyl; heterocycloalkyl; alkyl; —SO2 —Rb; —CO—Re; m=1 or 2; Ra=aryl, heteroaryl, —CO-cycloalkyl, —CO-heterocycloalkyl, —CO—Rb, —C(Rb)═N—ORc, —CO 2 Rd, —CONRxRy; Rb=alkyl, aryl, heteroaryl; Rc=H, alkyl; Rd=alkyl, cycloalkyl; Re=alkyl, cycloalkyl, aryl, heteroaryl; NRxRy with Rx,Ry=H, alkyl, cycloalkyl, alkoxy, phenyl, or form with N a ring with optionally O, N; R2, R3=H, alkyl, CF 3, or form with C a ring with optionally O, S and N; R4=H, F, Cl, CH3 or CN; the morpholine is substituted with Me, and optionally substituted with F, OH; or is (Formula 1a) and the isomer of configuration R,R (Formula 1b) these products being in all the isomer forms and the salts, as medicaments, in particular as anticancer medicaments.

  本发明涉及式（I）的新型产品，其中 p、q=0、1 或 2；R1=苯基、吡啶基；-(CH2)m-Ra；亚烷基；环烷基；杂环烷基；烷基；-SO2 -Rb；-CO-Re；m=1 或 2；Ra=芳基、杂芳基、-CO-环烷基、-CO-杂环烷基、-CO-Rb、-C(Rb)═N-ORC、-CO 2 Rd、-CONRxRy；Rb=烷基、芳基、杂芳基；Rc=H、烷基；Rd=烷基、环烷基；Re=烷基、环烷基、芳基、杂芳基；NRxRy，其中 Rx、Ry=H、烷基、环烷基、烷氧基、苯基，或与 N 形成可选 O、N 的环；R2、R3=H、烷基、CF 3，或与 C 形成可选 O、S 和 N 的环；R4=H、F、Cl、CH3 或 CN；吗啉被 Me 取代，并可选被 F、OH 取代；或者是（式 1a）和构型为 R,R 的异构体（式 1b），这些产品以所有异构体形式和盐类作为药物，特别是抗癌药物。
• [EN] NOVEL 2,3-DIHYDRO-1H-IMIDAZO{1,2-a}PYRIMIDIN-5-ONE and this1,2,3,4-TETRAHYDROPYRIMIDO{1,2-a}PYRIMIDIN-6-ONE DERIVATIVES COMPRISING A SUBSTITUTED MORPHOLINE, PREPARATION THEREOF AND PHARMACEUTICAL USE THEREOF<br/>[FR] NOUVEAUX DÉRIVÉS DE 2,3-DIHYDRO-1H-IMIDAZO{1,2-A}PYRIMIDIN-5-ONE ET DE 1,2,3,4-TÉTRAHYDROPYRIMIDO{1,2-A}PYRIMIDIN-6-ONE COMPRENANT UNE MORPHOLINE SUBSTITUÉE, LEUR PROCÉDÉ DE PRÉPARATION ET LEUR UTILISATION PHARMACEUTIQUE
  申请人：SANOFI SA

  公开号：WO2013190510A3

  公开（公告）日：2014-03-06
• NOVEL 2,3-DIHYDRO-1H-IMIDAZO{1,2-a}PYRIMIDIN-5-ONE and this1,2,3,4-TETRAHYDROPYRIMIDO{1,2-a}PYRIMIDIN-6-ONE DERIVATIVES COMPRISING A SUBSTITUTED MORPHOLINE, PREPARATION THEREOF AND PHARMACEUTICAL USE THEREOF
  申请人：SANOFI

  公开号：EP2864295A2

  公开（公告）日：2015-04-29