2-(3,5-二氯苯基)乙胺 | 67851-51-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2-(3,5-二氯苯基)乙胺
• 中文别名: 3,5-二氯苯乙胺
• 英文名称: 2-(3,5-dichlorophenyl)ethan-1-amine
• 英文别名: 2-(3,5-Dichlorophenyl)ethanamine
• CAS: 67851-51-8
• 化学式: C₈H₉Cl₂N
• mdl: MFCD08448789
• 分子量: 190.072
• InChiKey: HEEUTZAJXBKBEJ-UHFFFAOYSA-N

物化性质

• 沸点：
  266.4±25.0 °C(Predicted)
• 密度：
  1.268±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  26
• 氢给体数：
  1
• 氢受体数：
  1

安全信息

• 海关编码：
  2921499090

反应信息

• 作为反应物：
  描述：

  2-(3,5-二氯苯基)乙胺 在 N-甲基吗啉 、 盐酸 、 甲醇 、 4-二甲氨基吡啶 、 水 、 对甲苯磺酸 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 三乙胺 、 sodium hydroxide 作用下， 以 乙醚 、 二氯甲烷 、 水 、 甲苯 为溶剂， 反应 25.0h， 生成 (E)-3-(1-((3,5-dichlorophenethyl)amino)-2,3-dihydro-1H-inden-5-yl)-N-hydroxypropenamide
  参考文献：
  名称：

  [EN] PERIPHERAL ALKYL AND ALKENYL CHAINS EXTENDED BENZENE DERIVATIVES AND PHARMACEUTICAL COMPOSITION INCLUDING THE SAME
  [FR] DÉRIVÉS BENZÉNIQUES À CHAÎNES ALKYLE ET ALCÉNYLE PÉRIPHÉRIQUES ÉTENDUES ET COMPOSITION PHARMACEUTIQUE COMPRENANT CEUX-CI

  摘要：

  由公式（I）代表的化合物是外周烷基和烯基链延伸的苯衍生物，可作为双重自动税林(ATX) / 组蛋白去乙酰化酶(HDAC)抑制剂而有用。这些化合物可以与药学上可接受的载体一起组成药物组合物，并以治疗有效量用于预防或治疗各种疾病和疾病。

  公开号：

  WO2020205455A1
• 作为产物：
  描述：

  3,5-二氯苯甲醛 在 盐酸 、 ammonium acetate 、 溶剂黄146 作用下， 以 甲醇 、 乙醚 、 水 为溶剂， 反应 19.5h， 生成 2-(3,5-二氯苯基)乙胺
  参考文献：
  名称：

  [EN] PERIPHERAL ALKYL AND ALKENYL CHAINS EXTENDED BENZENE DERIVATIVES AND PHARMACEUTICAL COMPOSITION INCLUDING THE SAME
  [FR] DÉRIVÉS BENZÉNIQUES À CHAÎNES ALKYLE ET ALCÉNYLE PÉRIPHÉRIQUES ÉTENDUES ET COMPOSITION PHARMACEUTIQUE COMPRENANT CEUX-CI

  摘要：

  由公式（I）代表的化合物是外周烷基和烯基链延伸的苯衍生物，可作为双重自动税林(ATX) / 组蛋白去乙酰化酶(HDAC)抑制剂而有用。这些化合物可以与药学上可接受的载体一起组成药物组合物，并以治疗有效量用于预防或治疗各种疾病和疾病。

  公开号：

  WO2020205455A1

文献信息

• [EN] 6-SUBSTITUTED PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES<br/>[FR] DÉRIVÉS DE L'ACIDE CARBOXYLIQUE PHÉNOXYCHROMANE SUBSTITUÉS EN 6
  申请人：ARRAY BIOPHARMA INC

  公开号：WO2009158426A1

  公开（公告）日：2009-12-30

  Compounds of Formula (I): in which A1, A2, W, L, G, R7a, R7b, R8, R9 and R10 have the meanings given in the specification, are DP2 receptor modulators useful in the treatment of immunologic diseases.

  式（I）的化合物：其中A1、A2、W、L、G、R7a、R7b、R8、R9和R10具有规范中给定的含义，是DP2受体调节剂，可用于治疗免疫性疾病。
• 4-phenyl-pyridine derivatives
  申请人：——

  公开号：US20020091265A1

  公开（公告）日：2002-07-11

  The present invention relates to compounds of the general formula 1 R is lower alkyl, lower alkoxy, halogen or trifluoromethyl; R 1 is halogen or hydrogen; and when p is 1, R 1 in addition to the above substituents may be taken together with R 1 to form —CH═CH—CH═CH—, R 2 and R 2′ are independently hydrogen, halogen, trifluoromethyl, lower alkoxy or cyano; and when n is 1, R 2 and R 2′ may in addition to the above substituents form —CH═CH—CH═CH—, unsubstituted or substituted by one or two substituents selected from lower alkyl or lower alkoxy; R 3 and R 3′ are hydrogen, lower alkyl or taken together with the attached carbon atom form a cycloalkyl group; R 4 is hydrogen, —N(R 5 ) 2 , —N(R 5 )(CH 2 ) n OH, —N(R 5 )S(O) 2 -lower alkyl, N(R 5 )S(O) 2 -phenyl, —N═CH—N(R 5 ) 2 , —N(R 5 )C(O)R 5 ; 2 3 R 5 is hydrogen, C 3-6 -cycloalkyl, benzyl or lower alkyl; R 6 is hydroxy, lower alkyl; —(CH 2 ) n COO—(R 5 ), —N(R 5 )CO-lower alkyl, hydroxy-lower alkyl;—(CH 2 ) q CN; —(CH 2 ) n O(CH 2 ) n OH, —CHO or a 5-or 6 membered heterocyclic ring containing from 1 to 4 heteroatoms, selected from the group consisting of oxygen, nitrogen, and sulfur, and with one of the carbon atoms in said ring being unsubstituted or substituted with an oxo group, which heterocyclic ring is directly bonded or bonded via an alkylene group, to the remainder of the molecule; 4 is a cyclic tertiary amine which may contain one additional heteroatom selected from the group consisting of oxygen, nitrogen, and sulfur wherein any sulfur present in the ring is thio or can be oxidized to sulfoxide or sulfur dioxide, by which said cyclic tertiary amine is directly attached to the remainder of the molecule or is attached through the linker —(CH 2 ) n N(R 5 )—; X is —C(O)N(R 5 )—, —(CH 2 ) m O—, —(CH 2 ) m N(R 5 )—, —N(R 5 )C(O)—, or —N(R 5 )(CH 2 ) m —; n, p and q are 1 to 4; and m is 1 or2; and to pharmaceutically acceptable acid addition salts thereof The compounds of this invention show a high affinity to the NK-1 receptor. They may be used for the treatment of diseases relating to NK1 antagonists.

  本发明涉及一般式的化合物1 其中，R为较低的烷基，较低的烷氧基，卤素或三氟甲基；R1为卤素或氢；当p为1时，除了上述取代基外，R1还可以与R1一起形成—CH═CH—CH═CH—；R2和R2'独立地为氢，卤素，三氟甲基，较低的烷氧基或氰基；当n为1时，除了上述取代基外，R2和R2'还可以形成—CH═CH—CH═CH—，未取代或被选自较低烷基或较低烷氧基的一到两个取代基取代；R3和R3'为氢，较低的烷基或与附加的碳原子一起形成环烷基；R4为氢，—N(R5)2，—N(R5)(CH2)nOH，—N(R5)S(O)2-较低烷基，N(R5)S(O)2-苯基，—N═CH—N(R5)2，—N(R5)C(O)R5；R5为氢，C3-6环烷基，苄基或较低的烷基；R6为羟基，较低的烷基；—( )nCOO—(R5)，—N(R5)CO-较低烷基，羟基-较低烷基；—( )qCN；—( )nO( )nOH，—CHO或含有1至4个异原子的5或6元杂环，所述异原子选自氧，氮和硫，所述环中的一个碳原子未取代或被氧代基取代，该杂环通过烷基链直接键合或键合到分子的其余部分上；4为一个环状的三级胺，该胺可以包含一个额外的异原子，所述异原子选自氧，氮和硫，环中存在的任何硫为硫或可被氧化为亚硫酸盐或二氧化硫，该环状三级胺直接附着于分子的其余部分或通过连接剂—( )nN(R5)—附着；X为—C(O)N(R5)—，—( )mO—，—( )mN(R5)—，—N(R5)C(O)—或—N(R5)( )m—；n，p和q为1至4；m为1或2；以及其药学上可接受的酸盐。本发明的化合物表现出对NK-1受体的高亲和力。它们可用于治疗与NK1拮抗剂相关的疾病。
• Piperidine derivatives
  申请人：Alvaro Giuseppe

  公开号：US20050176715A1

  公开（公告）日：2005-08-11

  The present invention relates to piperidine derivatives of formula (I): R represents halogen or C 1-4 alkyl R 1 represents C 1-4 alkyl; R 2 or R 3 independently represent hydrogen or C 1-4 alkyl; R 4 represents trifluoromethyl, C 1-4 alkyl, C 1-4 alkoxy, trifluoromethoxy or halogen; R 5 represents hydrogen, C 1-4 alkyl or C 3-7 cycloalkyl; R 6 is hydrogen and R 7 is a radical of formula (W): or R 6 is a radical of formula (W) and R 7 is hydrogen; X represents CH 2 , NR 5 or O; Y represents Nitrogen and Z is CH or Y represents CH and Z is Nitrogen; A represents C(O) or S(O)q, provided that when Y is nitrogen and Z is CH, A is not S(O) q ; m is zero or an integer from 1 to 3; n is an integer from 1 to 3; p and q are independently an integer from 1 to 2; and pharmaceutically acceptable salts and solvates thereof. The process for their preparation and their use in the treatment of a condition mediated by tachykinins.

  本发明涉及式（I）的哌啶衍生物：其中，R代表卤素或C1-4烷基，R1代表C1-4烷基，R2或R3独立地代表氢或C1-4烷基，R4代表三氟甲基、C1-4烷基、C1-4烷氧基、三氟甲氧基或卤素，R5代表氢、C1-4烷基或C3-7环烷基，R6为氢，R7为式（W）的基团；或者R6为式（W）的基团，R7为氢；X代表CH2、NR5或O；Y代表氮，Z为CH或Y代表CH，Z为氮；A代表C（O）或S（O）q，但当Y为氮且Z为CH时，A不是S（O）q；m为零或1至3的整数；n为1至3的整数；p和q独立地为1至2的整数；以及其药学上可接受的盐和溶剂化物。其制备过程及其在治疗由速激肽介导的疾病中的应用。
• Benzopyran Compound
  申请人：Tsukagoshi Toru

  公开号：US20070299130A1

  公开（公告）日：2007-12-27

  This invention relates to benzopyran compounds of formula (I) wherein X is NR 6 , Y is a bond, SO or SO 2 , Z is C 1-4 alkyl group or phenyl group, W is hydrogen atom, hydroxy group, C 1-6 alkoxy group, a halogen atom, C 1-4 alkyl group or C 1-6 alkylsulfonylamino group, R 1 and R 2 are independently of each other C 1-3 alkyl group, R 3 is hydrogen atom, hydroxy group or methoxy group, m is an integer of 0 to 4, n is an integer of 0 to 4, V is a single bond, CR 7 R 8 , NR 9 , O, S, SO or SO 2 , R 4 is hydrogen atom or C 1-6 alkyl group, R 5 is hydrogen atom, C 1-6 alkyl group, C 3-8 cycloalkyl group, C 3-8 cycloalkenyl group, C 6-14 aryl group or C 2-9 heteroaryl group. These compounds are useful as an anti-arrhythmic agent.

  本发明涉及式（I）的苯并吡喃化合物，其中X为NR6，Y为键，SO或SO2，Z为C1-4烷基或苯基，W为氢原子，羟基，C1-6烷氧基，卤素原子，C1-4烷基或C1-6烷基磺酰氨基，R1和R2分别为C1-3烷基，R3为氢原子，羟基或甲氧基，m为0至4的整数，n为0至4的整数，V为单键，CR7R8，NR9，O，S，SO或SO2，R4为氢原子或C1-6烷基，R5为氢原子，C1-6烷基，C3-8环烷基，C3-8环烯基，C6-14芳基或C2-9杂芳基。这些化合物可用作抗心律失常剂。
• Tricyclic Benzopyrane Compound as Anti-Arrhythmic Agents
  申请人：Ohrai Kazuhiko

  公开号：US20080004262A1

  公开（公告）日：2008-01-03

  This invention relates to benzopyran derivatives of formula (I) or (II), or pharmaceutically acceptable salts thereof wherein R 1 and R 2 are independently of each other hydrogen atom, C 1-6 alkyl group or C 6-14 aryl group, R 3 is hydrogen atom or C 1-6 alkylcarbonyloxy group, or together with R 4 forms a bond, R 4 is hydrogen atom, or together with R 3 forms a bond, m is an integer of 0 to 4, n is an integer of 0 to 4, V is a single bond, CR 7 R 8 , NR 9 , O, S, SO or SO 2 , R 5 is hydrogen atom or C 1-6 alkyl group, R 6 is hydrogen atom, C 1-6 alkyl group, C 3-8 cycloalkyl group, C 3-8 cycloalkenyl group, amino group, C 1-6 alkylamino group, di-C 1-6 alkylamino group, C 6-14 arylamino group, C 2-9 heteroarylamino group, C 6-14 aryl group, C 2-9 heteroaryl group or C 2-9 heterocyclyl group, A is 5-, 6- or 7-member ring fused with benzene ring, as constituent atom of the ring, oxygen atom, nitrogen atom or sulfur atom may be contained in the number of 1 to 3 alone or in a combination thereof, the number of unsaturated bond in the ring is 1, 2 or 3 including an unsaturated bond of the benzene ring to be fused, carbon atoms constituting the ring may be carbonyl or thiocarbonyl. These compounds are useful as an anti-arrhythmic agent.

  本发明涉及式（I）或（II）的苯并吡喃衍生物，或其药学上可接受的盐，其中R1和R2独立地为氢原子，C1-6烷基或C6-14芳基；R3为氢原子或C1-6烷基羰氧基，或与R4一起形成键；R4为氢原子，或与R3一起形成键；m为0至4的整数，n为0至4的整数，V为单键，CR7R8，NR9，O，S，SO或SO2；R5为氢原子或C1-6烷基，R6为氢原子，C1-6烷基，C3-8环烷基，C3-8环烯基，氨基，C1-6烷基氨基，二C1-6烷基氨基，C6-14芳基氨基，C2-9杂芳基氨基，C6-14芳基，C2-9杂芳基或C2-9杂环烷基；A为与苯环融合的5、6或7元环，作为环的组成原子，其中单独或组合存在1至3个氧原子、氮原子或硫原子，环中不饱和键的数量为1、2或3，包括与苯环融合的不饱和键，构成环的碳原子可以是羰基或硫代羰基。这些化合物可用作抗心律失常药物。