2-Chlor-N-tert.-butyl-acetoacetamid | 67271-68-5

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 2-Chlor-N-tert.-butyl-acetoacetamid
• 英文别名: 2-chloro-N-tert-butylacetoacetamide；2-chloroacetoacetic acid-tert-butyl amide；N-(tert-butyl)-2-chloro-3-oxobutanamide；N-tert-butyl-2-chloro-3-oxobutanamide
• CAS: 67271-68-5
• 化学式: C₈H₁₄ClNO₂
• 分子量: 191.658
• InChiKey: YFOKUBCLWQNPED-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.75
• 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：

  2-Chlor-N-tert.-butyl-acetoacetamid 、 Sodium 1-cyanoprop-1-ene 2-oxide 以8%的产率得到
  参考文献：
  名称：

  BLOUNT J. F.; COFFEN D. L.; KATONAK D. A., J. ORG. CHEM., 1978, 43, NO 20, 3821-3824

  摘要：

  DOI：
• 作为产物：
  描述：

  双乙烯酮 、 叔丁胺 生成 2-Chlor-N-tert.-butyl-acetoacetamid
  参考文献：
  名称：

  Synthesis of some 2-aminofurans from cyanoacetone enolate and their rearrangement to 3-cyanopyrroles with ammonia

  摘要：

  DOI：

  10.1021/jo00414a006

文献信息

• Production of pyridoxine intermediates from diketene
  申请人：Hoffmann-La Roche Inc.

  公开号：US04093654A1

  公开（公告）日：1978-06-06

  A process for the preparation of oxazoles, particularly 4-lower alkyl-5-cyanooxazoles, from diketene is disclosed.

  本发明揭示了一种从二酮中制备噁唑，特别是4-较低烷基-5-氰基噁唑的方法。
• S1P3 RECEPTOR ANTAGONIST
  申请人：Ohnuma Shin-ya

  公开号：US20090170895A1

  公开（公告）日：2009-07-02

  The present invention relates to a medicine, and more particularly to novel arylamidrazone derivatives having an antagonistic action against S1P 3 receptors and a medicine containing thereof as an active ingredient. The present invention provides an arylamidrazone derivative represented by the following formula (1) or a pharmaceutically acceptable salt thereof: wherein R 1 represents a C 2 -C 8 alkyl group which may be substituted, a phenyl group which may be substituted, an aromatic heterocyclic group which may be substituted, a C 2 -C 8 alkoxy group which may be substituted, or —NR 4 R 5 (wherein R 4 and R 5 , which are identical or different, each represent a hydrogen atom or a lower alkyl group which may be substituted, or R 4 and R 5 may be joined with the adjacent nitrogen atom to form a nitrogen-containing heterocyclic ring which may be substituted); R 2 and R 3 , which are identical or different, each represent a hydrogen atom, a halogen atom, a halo-lower alkyl group, a lower alkyl group, a lower alkynyl group, a lower alkoxy group, a cyano group, a lower alkanoyl group or a lower alkylsulfonyl group; A represents a benzene ring or a heterocyclic ring; D represents a single bond or methylene; m represents an integer from 1 to 3, and n represents an integer from 1 to 5 (with the proviso that the case where R 1 is an ethoxy group, R 2 is a 2,4-dichloro group, R 3 is a hydrogen atom, A is a benzene ring, and D is methylene; and the case where R 1 is an ethoxy group, R 2 is a 2,4-dichloro group, R 3 is a hydrogen atom, a 2-methyl group, a 4-methyl group, a 4-methoxy group or a 4-ethoxy group, A is a benzene ring, and D is a single bond, are excluded).

  本发明涉及一种药物，更具体地涉及一种对S1P3受体具有拮抗作用的新型芳基酰胺脲衍生物及其作为活性成分的药物。本发明提供了下式（1）或其药学上可接受的盐所表示的芳基酰胺脲衍生物：其中R1表示可取代的C2-C8烷基，可取代的苯基，可取代的芳香杂环基，可取代的C2-C8烷氧基，或—NR4R5（其中R4和R5相同或不同，每个代表氢原子或可取代的低烷基，或R4和R5可以与相邻的氮原子连接形成可取代的含氮杂环环，其中R4和R5的情况下，它们相邻的氮原子可以连接形成可取代的含氮杂环环）；R2和R3相同或不同，每个代表氢原子，卤原子，卤代低烷基，低烷基，低炔基，低烷氧基，氰基，低烷酰基或低烷基磺酰基；A代表苯环或杂环环；D代表单键或亚甲基；m表示1到3的整数，n表示1到5的整数（但其中R1为乙氧基，R2为2,4-二氯基，R3为氢原子，A为苯环，D为亚甲基的情况和R1为乙氧基，R2为2,4-二氯基，R3为氢原子，2-甲基，4-甲基，4-甲氧基或4-乙氧基，A为苯环，D为单键的情况不包括在内）。
• US4093654A
  申请人：——

  公开号：US4093654A

  公开（公告）日：1978-06-06
• US4801750A
  申请人：——

  公开号：US4801750A

  公开（公告）日：1989-01-31
• US8546452B2
  申请人：——

  公开号：US8546452B2

  公开（公告）日：2013-10-01