4-(3,4-二氟苄基)哌啶 | 203860-03-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 中文名称: 4-(3,4-二氟苄基)哌啶
• 英文名称: 4-(3,4-difluorobenzyl)piperidine
• 英文别名: 4-[(3,4-Difluorophenyl)methyl]piperidine
• CAS: 203860-03-1
• 化学式: C₁₂H₁₅F₂N
• mdl: MFCD08669820
• 分子量: 211.255
• InChiKey: GTIPRWLJTBFXAB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  12
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-(3,4-二氟苄基)哌啶 在 N,N-二异丙基乙胺 、 zinc(II) chloride 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 反应 36.0h， 生成 6-(5-(4-(3,4-difluorobenzyl)piperidin-1-yl)-1,2,4-oxadiazol-3-yl)-2-methylpyridazin-3(2H)-one
  参考文献：
  名称：

  WO2020154571A5

  摘要：

  公开号：

  WO2020154571A5
• 作为产物：
  描述：

  1,2-二氟-4-碘代苯 在 9-硼双环[3.3.1]壬烷 、 三氟乙酸 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 8.0h， 生成 4-(3,4-二氟苄基)哌啶
  参考文献：
  名称：

  WO2020154571A5

  摘要：

  公开号：

  WO2020154571A5

文献信息

• [EN] NEW BENZOYL UREA DERIVATIVES<br/>[FR] NOUVEAUX DERIVES D'UREE BENZOYLE
  申请人：RICHTER GEDEON VEGYESZET

  公开号：WO2006010966A1

  公开（公告）日：2006-02-02

  The new benzoyl urea derivatives of formula (I) wherein the meaning of X and Y independently are hydrogen atom, hydroxy, benzyloxy, amino, nitro, C1-C4 alkylsulfonamido optionally substituted with a halogen atom or halogen atoms, C1-C4 alkanoylamido optionally substituted with a halogen atom or halogen atoms, C1-C4 alkoxy, aroyl-carbamoyl optionally substituted with halogen atom or C1-C4 alkyl or C1-C4 alkoxycarbonyl group, or the neighboring X and Y groups optionally form together with one or more identical or different additional hetero atom and -CH= and/or -CH2- groups an optionally substituted 4-7 membered homo- or heterocyclic ring, preferably morpholine, pyrrole, pyrrolidine, oxo- or thioxo-pyrrolidine, pyrazole, pyrazolidine, imidazole, imidazolidine, oxo- or thioxo-imidazole or imidazolidine, 1,4-oxazine, oxazole, oxazolidine, triazole, oxo- or thioxo-oxazolidine, or 3-oxo-l,4-oxazine ring, V and Z independently are hydrogen or halogen atom, cyano, C1-C4 alkyl, C1-C4 alkoxy, trifluoromethyl, hydroxy or optionally esterized carboxyl group, W is oxygen atom, as well as C1-C4 alkylene, C2-C4 alkenylene, aminocarbonyl, -NH-, -N(alkyl)-, -CH2O-, -CH2S-, -CH(OH)-, -OCH2- group, wherein the meaning of alkyl is a C1-C4 alkyl group -, when the dotted bonds ( --- ) represent simple C-C bonds then U is hydroxy group or hydrogen atom or when W is C1-C4 alkylene or C2-C4 alkenylene group, then one of the dotted bonds ( --- ) can represent a further double C-C bond and in this case U means an electron pair, which participate in the double bond and optical antipodes, racemates and the salts thereof are highly effective and selective antagonists of NMDA receptor, and moreover most of the compounds are selective antagonist of NR2B subtype of NMDA receptor. Furthermore objects of the present invention are the pharmaceutical compositions containing new benzoyl urea derivatives of formula (I) or optical antipodes or racemates or the salts thereof as active ingredients and processes for producing these compounds and pharmaceutical compositions.

  公式（I）的新苯甲酰脲衍生物，其中X和Y的含义独立地是氢原子、羟基、苄氧基、氨基、硝基、C1-C4烷基磺酰胺（可选择地与卤原子或卤原子取代）、C1-C4烷酰胺（可选择地与卤原子或卤原子取代）、C1-C4烷氧基、芳酰基-氨基（可选择地与卤原子或C1-C4烷基或C1-C4烷氧羰基团取代）或相邻的X和Y基团可选择地与一个或多个相同或不同的额外杂原子和-CH=和/或-CH2-基团一起形成一个可选择地取代的4-7成员同源或异源环，优选为吗啡啉、吡咯、吡咯烷、氧代或硫代吡咯烷、吡唑、吡唑烷、咪唑、咪唑烷、氧代或硫代咪唑或咪唑烷、1,4-氧杂噁啉、氧唑、氧杂噁啉、三唑、氧代或硫代氧杂噁啉或3-氧代-1,4-氧杂噁啉环，V和Z独立地是氢或卤原子、氰基、C1-C4烷基、C1-C4烷氧基、三氟甲基、羟基或可选择酯化的羧基，W是氧原子，以及C1-C4烷基、C2-C4烯基、氨基羰基、-NH-、-N(烷基)-、-CH2O-、-CH2S-、-CH(OH)-、-OCH2-基团，其中烷基的含义是C1-C4烷基群-，当虚线键（---）代表简单的C-C键时，U是羟基或氢原子，或当W是C1-C4烷基或C2-C4烯基群时，那么虚线键（---）中的一个可以代表进一步的双键C-C键，在这种情况下，U表示参与双键和光学异构体、消旋体及其盐的电子对，这些化合物是NMDA受体的高效和选择性拮抗剂，而且大多数化合物是NMDA受体NR2B亚型的选择性拮抗剂。此外，本发明的目的是包含公式（I）的新苯甲酰脲衍生物、光学异构体或消旋体或其盐为活性成分的药物组合物，以及生产这些化合物和药物组合物的方法。
• [EN] PIPERIDINE DERIVATIVES AS NMDA RECEPTOR ANTAGONISTS<br/>[FR] DERIVES DE PIPERIDINE UTILISES EN TANT QU'ANTAGONISTES DU RECEPTEUR N-METHYL-D-ASPARTATE (NMDA)
  申请人：RICHTER GEDEON VEGYESZET

  公开号：WO2003010159A1

  公开（公告）日：2003-02-06

  The present invention relates to new carboxylic acid amide derivatives of formula (I), wherein U, V, W, X, Y, Z, n and m are as defined as in Claim 1. A further object of the invention are the processes for producing of carboxylic acid amide compounds of formula (I), and the pharmaceutical manufacture of medicaments containing these compounds, as well as the process of treatments with these compounds, which means administering to a mammal to be treated including human - effective amount/amounts of compounds of formula (I) of the present invention as such or as medicament. The new carboxylic acid amide derivatives of formula (I) of the present invention are highly effective and selective antagonists of NMDA receptor, and moreover most of the compounds are selective antagonist of NR2B subtype of NMDA receptor.

  本发明涉及公式（I）的新羧酸酰胺衍生物，其中U、V、W、X、Y、Z、n和m如权利要求书1中所定义。本发明的另一个目标是制备公式（I）的羧酸酰胺化合物的过程，以及包含这些化合物的药物制剂的制药制造，以及使用这些化合物进行治疗的过程，即向待治疗的哺乳动物（包括人类）施用本发明的公式（I）的化合物或药物的有效量/剂量。本发明的新羧酸酰胺衍生物是高效且选择性的NMDA受体拮抗剂，而且大多数化合物是NMDA受体NR2B亚型的选择性拮抗剂。
• Piperdine derivatives as NMDA receptor antagonists
  申请人：——

  公开号：US20040157886A1

  公开（公告）日：2004-08-12

  The present invention relates to a compound of formula (I): 1 wherein: V and U are hydrogen, halogen, C 1 -C 4 alkylamino, or together form a group that contains one or more heteroatoms, and that taken together with one or more: (a) hydrogen atoms; (b) carbon atoms; (c) —CH═ groups; (d) —CH 2 — groups; or (e) additional heteroatoms of the same or different type; or any combination thereof, form a 4-7 membered homocyclic or heterocyclic ring, wherein the homocyclic or heterocyclic ring may combine with the phenyl group to form a bicyclic ring, and wherein the homocyclic or heterocyclic ring or the bicyclic ring may contain one or more oxo, thioxo, amino, mercapto, trifluoromethyl, C 1 -C 4 alkyl, ═S or —SH groups; W: is —CO—, —CH 2 — or —CH 2 —(C 1 -C 4 alkyl)-; X: is —CO—; Y: is —O—, C 1 -C 4 alkylene, C 1 -C 4 alkynylene, cycloalkylene, aminocarbonyl, —NH—, —N(C 1 -C 4 alkyl)-, —C 1 -C 4 alkylene-N(C 1 -C 4 alkyl)-, —CH 2 O—, —CH(OH)— or —OCH 2 —; Z: is hydrogen, halogen, nitro, amino, C 1 -C 4 alkyl, C 1 -C 4 alkoxy, cyano, trifluoromethyl, hydroxyl or carboxyl; R 1 and R 2 : are hydrogen, or together form a C 1 -C 3 bridge; and n and m: independently are 0-3, wherein n and m cannot each be 0; or an optical antipode, racemate or pharmaceutically-acceptable salt thereof. The carboxylic acid amide derivatives of formula (I) are highly effective and selective antagonists of the NMDA receptor.

  本发明涉及化合物式（I）：1其中：V和U为氢、卤素、C1-C4烷基氨基或一起形成一个含有一个或多个杂原子的基团，且与一个或多个：（a）氢原子；（b）碳原子；（c）—CH═基团；（d）—CH2—基团；或（e）同一种或不同种类的其他杂原子；或任意组合，形成一个4-7环的同环或异环环，其中同环或异环环可以与苯基结合形成双环环，且同环或异环环或双环环可以含有一个或多个氧代、硫代、氨基、巯基、三氟甲基、C1-C4烷基、═S或—SH基团；W：为—CO—、—CH2—或—CH2—（C1-C4烷基）-；X：为—CO—；Y：为—O—、C1-C4亚烷基、C1-C4炔基、环烷基、氨基甲酰、—NH—、—N（C1-C4烷基）-、—C1-C4烷基-N（C1-C4烷基）-、—CH2O—、—CH（OH）—或—OCH2—；Z：为氢、卤素、硝基、氨基、C1-C4烷基、C1-C4烷氧基、氰基、三氟甲基、羟基或羧基；R1和R2：为氢，或一起形成一个C1-C3桥；n和m：独立地为0-3，其中n和m不能同时为0；或其光学对映体、外消旋体或药学上可接受的盐。化合物式（I）的羧酸酰衍生物是NMDA受体高效、选择性的拮抗剂。
• Substituted bicyclic derivatives and use thereof
  申请人：Matsumoto Akiko

  公开号：US20090054401A1

  公开（公告）日：2009-02-26

  [Object] To provide a compound having prostaglandin production-suppressing action and leukotriene production-suppressing action. [Means for Solution] A compound represented by the formula (I): [In the formula, represents a single bond, or a double bond, Link represents a single bond, or a saturated or unsaturated straight hydrocarbon having 1 or 2 carbon atoms, W represents a single bond, oxygen atom, sulfur atom, N(Rw) etc., Rw represents hydrogen atom, an alkyl group having 1 to 8 carbon atoms etc, Rs represents -D-Rx etc., D represents a single bond, oxygen atom, sulfur atom etc., Rx represents a linear or branched saturated alkyl group having 3 to 8 carbon atoms etc., one of V 1 and V 2 represents Zx, and the other represents AR, Zx represents hydrogen atom, a linear or branched saturated alkyl group having 1 to 4 carbon atoms etc., AR represents a partially unsaturated or completely unsaturated condensed bicyclic carbon ring or heterocyclic ring, and Y represents hydrogen atom, a lower alkyl group having 1 to 4 carbon atoms etc.], or a salt thereof.

  [目标] 提供一种具有前列腺素产生抑制作用和白三烯产生抑制作用的化合物。[解决方案] 一种由式(I)表示的化合物：[在式中，表示单键或双键，Link表示单键或具有1或2个碳原子的饱和或不饱和直链碳氢化合物，W表示单键、氧原子、硫原子、N(Rw)等，Rw表示氢原子、具有1至8个碳原子的烷基等，Rs表示-D-Rx等，D表示单键、氧原子、硫原子等，Rx表示具有3至8个碳原子的线性或支链饱和烷基等，V1和V2中的一个表示Zx，另一个表示AR，Zx表示氢原子、具有1至4个碳原子的线性或支链饱和烷基等，AR表示部分不饱和或完全不饱和的螺合环碳环或杂环，Y表示氢原子、具有1至4个碳原子的低烷基等。]，或其盐。
• Piperidine derivatives as NMDA receptor antagonists
  申请人：Gedeon Richter Vegyeszeti Gyar RT

  公开号：US07435744B2

  公开（公告）日：2008-10-14

  The present invention relates to a compound of formula (I): wherein: V and U are hydrogen, halogen, C1-C4 alkylamino, or together form a group that contains one or more heteroatoms, and that taken together with one or more: (a) hydrogen atoms; (b) carbon atoms; (c) —CH═ groups; (d) —CH2— groups; or (e) additional heteroatoms of the same or different type; or any combination thereof, form a 4-7 membered homocyclic or heterocyclic ring, wherein the homocyclic or heterocyclic ring may combine with the phenyl group to form a bicyclic ring, and wherein the homocyclic or heterocyclic ring or the bicyclic ring may contain one or more oxo, thioxo, amino, mercapto, trifluoromethyl, C1-C4 alkyl, ═S or —SH groups; W: is —CO—, —CH2— or —CH2—(C1-C4 alkyl)-; X: is —CO—; Y: is —O—, C1-C4 alkylene, C1-C4 alkynylene, cycloalkylene, aminocarbonyl, —NH—, —N(C1-C4 alkyl)-, -C1-C4 alkylene-N(C1-C4 alkyl)-, —CH2O—, —CH(OH)— or —OCH2—; Z: is hydrogen, halogen, nitro, amino, C1-C4 alkyl, C1-C4 alkoxy, cyano, trifluoromethyl, hydroxyl or carboxyl; R1 and R2: are hydrogen, or together form a C1-C3 bridge; and n and m: independently are 0-3, wherein n and m cannot each be 0; or an optical antipode, racemate or pharmaceutically-acceptable salt thereof. The carboxylic acid amide derivatives of formula (I) are highly effective and selective antagonists of the NMDA receptor.

  本发明涉及式(I)的化合物：其中：V和U是氢、卤素、C1-C4烷基氨基或共同形成包含一个或多个杂原子的基团，与一个或多个：(a)氢原子；(b)碳原子；(c) -CH═基团；(d) -CH2-基团；或(e)相同或不同类型的其他杂原子；或任意组合，形成一个4-7环的同环或异环，其中同环或异环可以与苯基结合形成双环，同环或异环或双环可能包含一个或多个氧代、硫代、氨基、巯基、三氟甲基、C1-C4烷基、═S或-SH基团；W：是-CO-、-CH2-或-CH2-(C1-C4烷基)-；X：是-CO-；Y：是-O-、C1-C4亚烷基、C1-C4炔基、环烷基、氨基甲酰基、-NH-、-N(C1-C4烷基)-、-C1-C4亚烷基-N(C1-C4烷基)-、-CH2O-、-CH(OH)-或-OCH2-；Z：是氢、卤素、硝基、氨基、C1-C4烷基、C1-C4烷氧基、氰基、三氟甲基、羟基或羧基；R1和R2：是氢，或共同形成C1-C3桥；n和m：独立地为0-3，其中n和m不能同时为0；或其光学对映体、外消旋体或药学上可接受的盐。式(I)的羧酸酰胺衍生物是NMDA受体的高效选择性拮抗剂。