3-cyano-naphthalene-1-carbonyl chloride | 255050-48-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 3-cyano-naphthalene-1-carbonyl chloride
• 英文别名: 3-cyanonaphthalene-1-carbonyl chloride；3-cyano-1-naphthoyl chloride
• CAS: 255050-48-7
• 化学式: C₁₂H₆ClNO
• 分子量: 215.639
• InChiKey: DCEPKMPBTBJAFQ-UHFFFAOYSA-N

物化性质

• 沸点：
  374.8±25.0 °C(Predicted)
• 密度：
  1.35±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  40.9
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-cyano-naphthalene-1-carbonyl chloride 在 草酰氯 、 吡啶硼烷 、 碳酸氢钠 、 二甲基亚砜 作用下， 以 二氯甲烷 、 水 为溶剂， 生成 ZD2249
  参考文献：
  名称：

  A New Approach to the Rapid Parallel Development of Four Neurokinin Antagonists. Part 3. Assembly of Neurokinin Antagonists

  摘要：

  Four neurokinin antagonists were assembled using a rapid parallel development approach. Research Department processes were scaled up if process safety and robustness were not compromised. Using this approach, 1 kg of each compound was rapidly delivered for clinical trials.

  DOI：

  10.1021/op020066+
• 作为产物：
  描述：

  3-氰基-1-萘酸 在 N,N-二甲基甲酰胺 草酰氯 作用下， 以 二氯甲烷 为溶剂， 反应 4.0h， 生成 3-cyano-naphthalene-1-carbonyl chloride
  参考文献：
  名称：

  NK1 and NK2-antagonists and compositions and methods of using the same

  摘要：

  3-氰基萘-1-羧酸过羟基烷基甲基哌嗪化合物，其具有对速激肽受体的拮抗作用，包含该化合物的药物组合物，使用该化合物治疗和/或抑制各种疾病和失调的方法，制备这类哌嗪化合物的方法，以及这些过程的中间产品。

  公开号：

  US20070149537A1

文献信息

• [EN] NAPHTHAMIDE DERIVATIVES AND THEIR USE<br/>[FR] DERIVES DE NAPHTAMIDE ET LEUR UTILISATION
  申请人：ASTRAZENECA AB

  公开号：WO2004020411A1

  公开（公告）日：2004-03-11

  Compounds having the following structure wherein R1, R2, R3, R4, m and n are as defined in the specification, in vivo-hydrolysable precursors thereof, pharmaceutically-acceptable salts thereof, the use in therapy and pharmaceutical compositions and methods of treatment using the same.

  具有以下结构的化合物，其中R1、R2、R3、R4、m和n如规范中定义，其体内可水解的前体，其药用可接受的盐，以及在治疗中的使用、制药组合物和使用相同方法的治疗方法。
• N-substituted naphthalene carboxamides as neurokinin-receptor antagonists
  申请人：Astra Zeneca AB

  公开号：US06365602B1

  公开（公告）日：2002-04-02

  A compound of formula I wherein: R is alkyl; R1 is optionally substituted phenyl 2-oxo-tetrahydro-1(2H)-pyrimidinyl, or 2-oxo-1-piperidinyl; R2 is hydrogen, alkoxy, alkanoyloxy, alkoxycarbonyl, alkanoylamino, acyl, alkyl, carbamoyl, N-alkylcarbamoyl, N,N-dialkylcarbamoyl where the alkyl groups are the same or different, hydroxy, thioacyl, thiocarbamoyl, N-alkylthiocarbamoyl, or N,N-dialkylthiocarbamoyl where the alkyl groups are the same or different. X1 and X2 are independently hydrogen or halo, provided that at least one of X1 or X2 is halo; and R3, R4, R5 and R6 are independently hydrogen, cyano, nitro, trifluoromethoxy, trifluoromethyl, or alkylsulfonyl are antagonists of at least one tachykinin receptor and are useful in the treatment of depression, anxiety, asthma, pain, inflammation, urinary incontinence and other disease conditions. Process for their preparation are described, as are compositions containing them and their use.

  公式I的化合物中：R是烷基；R1是可选择地取代的苯基2-氧代四氢-1(2H)-嘧啶基，或2-氧代-1-哌啶基；R2是氢、烷氧基、烷酰氧基、烷氧羰基、烷酰胺基、酰基、烷基、氨基甲酰基、N-烷基氨基甲酰基、N,N-二烷基氨基甲酰基（其中烷基基团相同或不同）、羟基、硫代酰基、硫代氨基甲酰基、N-烷基硫代氨基甲酰基、或N,N-二烷基硫代氨基甲酰基（其中烷基基团相同或不同）。X1和X2独立地为氢或卤素，但至少X1或X2中的一个为卤素；R3、R4、R5和R6独立地为氢、氰基、硝基、三氟甲氧基、三氟甲基、或烷基磺酰基，它们是至少一种催吐肽受体的拮抗剂，对治疗抑郁症、焦虑症、哮喘、疼痛、炎症、尿失禁和其他疾病情况有用。描述了它们的制备方法，以及含有它们和它们的用途的组合物。
• N-(2-phenyl-4-amino-butyl)-1-naphthamides as neurokinin-1 receptor antagonists
  申请人：Astrazeneca AB

  公开号：US06476077B1

  公开（公告）日：2002-11-05

  A compound having the general formula (I): R1R2N—CH2CH2—CHAr1—CH2—NR3—CO—R4 wherein: R1 is hydrogen, C1-6 alkyl, C2-6 alkenyl, aryl, C1-6 alkanoyl C1-6 alkoxycarbonyl or arylcarbonyl; any of such groups being optionally substituted; R2 is hydrogen or C1-6 alkyl; or R1 or R2 are joined to form an optionally substituted morpholino ring; Ar1 is phenyl mono- or di-substituted by halo; R3 is hydrogen or C1-6 alkyl; R4 is optionally substituted naphth-1-yl; or pharmaceutically acceptable salts thereof. These compounds antagonize the pharmacological actions of the endogenous neuropeptide tachykinins, particularly the neurokinin 1 (NK1) receptor.

  化合物的一般式为（I）：R1R2N—CH2CH2—CHAr1—CH2—NR3—CO—R4，其中：R1为氢，C1-6烷基，C2-6烯基，芳基，C1-6烷酰基，C1-6烷氧羰基或芳基羰基；这些基团中的任何一个可以选择性地被取代；R2为氢或C1-6烷基；或者R1或R2被结合形成一个可以选择性地被取代的吗啡环；Ar1为苯基，单取代或双取代为卤素；R3为氢或C1-6烷基；R4为可以选择性地被取代的萘-1-基；或其药学上可接受的盐。这些化合物拮抗内源性神经肽tachykinins的药理作用，特别是神经激肽1（NK1）受体。
• [EN] N-SUBSTITUTED NAPHTHALENE CARBOXAMIDES AS NEUROKININ-RECEPTOR ANTAGONISTS<br/>[FR] NAPHTALENE CARBOXAMIDES N-SUBSTITUES EN TANT QU'ANTAGONISTES DE RECEPTEURS DES NEUROKININES
  申请人：ZENECA LTD

  公开号：WO2000002859A1

  公开（公告）日：2000-01-20

  A compound of formula (I) wherein: R is alkyl; R1 is optionally substituted phenyl, 2-oxo-tetrahydro-1(2H)-pyrimidinyl, or 2-oxo-1-piperidinyl; R2 is hydrogen, alkoxy, alkanoyloxy, alkoxycarbonyl, alkanoylamino, acyl, alkyl, carbamoyl, N-alkylcarbamoyl, N,N-dialkylcarbamoyl where the alkyl groups are the same or different, hydroxy, thioacyl, thiocarbamoyl, N-alkylthiocarbamoyl, or N,N-dialkylthiocarbamoyl where the alkyl groups are the same or different. X¿1? and X2 are independently hydrogen or halo, provided that at least one of X1 or X2 is halo; and R?3, R4, R5, and R6¿ are independently hydrogen, cyano, nitro, trifluoromethoxy, trifluoromethyl, or alkylsulfonyl are antagonists of at least one tachykinin receptor and are useful in the treatment of depression, anxiety, asthma, pain, inflammation, urinary incontinence and other disease conditions. Processes for their preparation are described, as are compositions containing them and their use.

  化合物的化学式(I)，其中：R为烷基; R1为可选取代的苯基，2-氧代-四氢-1(2H)-嘧啶基或2-氧代-1-哌啶基; R2为氢、烷氧基、烷酰氧基、烷氧羰基、烷酰胺、烷基、氨基甲酰、N-烷基氨基甲酰、N,N-二烷基氨基甲酰，其中烷基团相同或不同，羟基、硫代酰基、硫代氨基、N-烷基硫代氨基、N,N-二烷基硫代氨基，其中烷基团相同或不同。X1和X2独立地为氢或卤素，但至少其中之一为卤素; R3、R4、R5和R6独立地为氢、氰基、硝基、三氟甲氧基、三氟甲基或烷基磺酰基，是至少一种快速激动肽受体的拮抗剂，可用于治疗抑郁症、焦虑症、哮喘、疼痛、炎症、尿失禁和其他疾病。描述了它们的制备过程，以及包含它们和它们的使用的组合物。
• Compounds
  申请人：——

  公开号：US20040106610A1

  公开（公告）日：2004-06-03

  A compound having the general formula R 1 R 2 N—CH 2 CH 2 —CHAr 1 —CH 2 —NR 3 —CO—R 4 (I) and methods of using such compounds for the treatment of diseases and pharmaceutical composition comprising such compounds.

  一种具有通式R1R2N—CH2CH2—CHAr1—CH2—NR3—CO—R4（I）的化合物及使用该化合物治疗疾病的方法和包含该化合物的制药组合物。