6-acetyl-4,4-dimethyl-3,4-dihydro-1H-quinolin-2-one | 651026-51-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 6-acetyl-4,4-dimethyl-3,4-dihydro-1H-quinolin-2-one
• 英文别名: 6-Acetyl-4,4-dimethyl-3,4-dihydroquinolin-2(1h)-one；6-acetyl-4,4-dimethyl-1,3-dihydroquinolin-2-one
• CAS: 651026-51-6
• 化学式: C₁₃H₁₅NO₂
• 分子量: 217.268
• InChiKey: OTVKXYCZLMHXQS-UHFFFAOYSA-N

物化性质

• 沸点：
  413.8±45.0 °C(Predicted)
• 密度：
  1.093±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  46.2
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  6-acetyl-4,4-dimethyl-3,4-dihydro-1H-quinolin-2-one 、 1-碘己烷 在 sodium hydride 作用下， 以 DMF (N,N-dimethyl-formamide) 、 乙二醇二甲醚 为溶剂， 反应 2.17h， 以31%的产率得到N-hexyl-6-acetyl-4,4-dimethyl-3,4-dihydro-1H-quinolin-2-one
  参考文献：
  名称：

  [3-(C5-14ALKYL-2-OXO-1,2,3,4-TETRAHYDRO-QUINOLIN-6-YL)-3-OXO-PROPENYL]-PHENYL AND [3-(C5-14ALKYL-2-OXO-1,2,3,4- TETRAHYDRO-QUINOLIN-6-YL)-3-OXO-PROPENYL]-HETEROARYL DERIVATIVES HAVING ANTI-TUMOR ACTIVITY

  摘要：

  式中的化合物具有抗肿瘤活性。

  公开号：

  US06683092B1
• 作为产物：
  描述：

  三丁基(1-乙氧基乙烯)锡 、 6-溴-3,4-二氢-4,4-二甲基喹啉-2(1H)-酮 在 bis-triphenylphosphine-palladium(II) chloride 盐酸 作用下， 以 四氢呋喃 为溶剂， 反应 18.5h， 以67%的产率得到6-acetyl-4,4-dimethyl-3,4-dihydro-1H-quinolin-2-one
  参考文献：
  名称：

  [3-(C5-14ALKYL-2-OXO-1,2,3,4-TETRAHYDRO-QUINOLIN-6-YL)-3-OXO-PROPENYL]-PHENYL AND [3-(C5-14ALKYL-2-OXO-1,2,3,4- TETRAHYDRO-QUINOLIN-6-YL)-3-OXO-PROPENYL]-HETEROARYL DERIVATIVES HAVING ANTI-TUMOR ACTIVITY

  摘要：

  式中的化合物具有抗肿瘤活性。

  公开号：

  US06683092B1

文献信息

• Disubstituted chalcone oximes as selective agonists of RAR retinoid receptors
  申请人：Tsang Yin Kwok

  公开号：US20050148590A1

  公开（公告）日：2005-07-07

  Compounds of the formula where the variables are as defined in the specification, are useful for preventing or treating emphysema and related pulmonary conditions of mammals and other diseases and conditions which are responsive to RAR γ agonist retinoids, such as skin related diseases, including but not limited to acne and psoriasis.

  式中变量的定义如规范中所述，对于预防或治疗哺乳动物的肺气肿和相关肺部疾病以及其他对RARγ激动剂类维生素A酸类药物敏感的疾病和病况是有用的，例如皮肤相关疾病，包括但不限于痤疮和牛皮癣。
• Pyrimidine Compounds and Use Thereof
  申请人：Geneste Herve

  公开号：US20080161322A1

  公开（公告）日：2008-07-03

  The invention relates to pyrimidine compounds of general formula (I), and to the use of these compounds of general formula (I) and of the physiologically compatible acid addition salts of compounds (I) for producing a pharmaceutical agent for treating diseases, which respond to the influence of dopamine D 3 receptor antagonists or agonists.

  本发明涉及一般式（I）的嘧啶化合物，以及使用这些一般式（I）化合物和化合物（I）的生理兼容酸加合盐来生产用于治疗对多巴胺D3受体拮抗剂或激动剂产生反应的疾病的制药剂。
• Disubstituted chalcone oximes as selective agonists of RARγ retinoid receptors
  申请人：Allergan, Inc.

  公开号：US07476673B2

  公开（公告）日：2009-01-13

  Compounds of the formula where the variables are as defined in the specification, are useful for preventing or treating emphysema and related pulmonary conditions of mammals and other diseases and conditions which are responsive to RARγ agonist retinoids, such as skin related diseases, including but not limited to acne and psoriasis.

  式子中变量的定义如规范所述，对于预防或治疗哺乳动物的肺气肿和相关肺部疾病以及其他对RARγ激动剂视为响应的疾病和情况，如皮肤相关疾病（包括但不限于痤疮和银屑病）非常有用。
• PYRIMIDINE COMPOUNDS AND USE THEREOF
  申请人：Geneste Hervè

  公开号：US20110118232A1

  公开（公告）日：2011-05-19

  The invention relates to novel pyrimidine compounds of general formula (I), in which: A represents a group C═W or CR f R g ; B represents a chemical bond or a group CR h R i ; X represents O, S, a group N—R k or a group CR m R n ; D represents C═O or a chemical bond; E represents a linear or branched 2- to 10-membered alkylene chain that, as members of a chain, can have 1 or 2 non-adjacent heteroatom group(s) K, which is selected among O, S, S(O), S(O) 2 and N—R p and which can comprise a carbonyl group and/or a cycloalkanediyl group and/or a double or triple bond; W represents oxygen or sulfur; Z, together with the carbon atoms, to which it is bound, represents a condensed, optionally substituted 5-, 6- or 7-membered carbocyclic compound or heterocyclic compound that has 1, 2, 3 or 4 heteroatoms, which are selected among N, O and S; J represents CH 2 , CH 2 —CH 2 or CH 2 —CH 2 —CH 2 ; M represents CH or N; Y represents CH 2 , CH 2 —CH 2 or CH 2 —CH 2 —CH 2 or M-X, together, represent CH═C or CH 2 —CH═C; n is 0 or 1, and; R a , R b , R c , R d , R e , R f , R g , R h , R i , R k , R p , R 1 , R 2 , R 3 , R 4 , R 5 and R 6 have the meanings cited in the claims and in the description. The invention also relates to the physiologically compatible acid addition salts of the aforementioned compounds, and to the use of these compounds of general formula (I) and of the physiologically compatible acid addition salts of compounds (I) for producing a pharmaceutical agent for treating diseases, which respond to the influence of dopamine D 3 receptor antagonists or agonists.

  本发明涉及一种新的嘧啶化合物，其通式为（I），其中：A代表C═W或CRfRg基团；B代表化学键或CRhRi基团；X代表O、S、N—Rkor CRmRn基团；D代表C═O或化学键；E代表线性或支链2-10位碳原子的烷基链，作为链的成员，可以有1或2个非相邻杂原子基团K，该基团从O、S、S（O）、S（O）2和N—Rp中选择，并且可以包含一个羰基基团和/或一个环烷二基基团和/或一个双键或三键；W代表氧或硫；Z与其结合的碳原子一起表示一种紧凑的、可选地取代的5、6或7位成员的碳环化合物或杂环化合物，其中有1、2、3或4个杂原子，选择自N、O和S；J代表CH2、CH2—CH2或CH2—CH2—CH2；M代表CH或N；Y代表CH2、CH2—CH2或CH2—CH2—CH2或M-X，共同表示CH═C或CH2—CH═C；n为0或1；Ra、Rb、Rc、Rd、Re、Rf、Rg、Rh、Ri、Rk、Rp、R1、R2、R3、R4、R5和R6在权利要求书和说明书中所述。本发明还涉及上述化合物的生理相容性酸盐以及使用通式（I）化合物和化合物（I）的生理相容性酸盐制备用于治疗对多巴胺D3受体拮抗剂或激动剂有反应的疾病的药物的用途。
• Pyrimidinverbindungen und ihre Verwendung zur Behandlung von Erkrankungen des zentralen Nervensystems
  申请人：Abbott GmbH & Co. KG

  公开号：EP1751116B1

  公开（公告）日：2013-07-31