3-(methylsulfonyl)azetidine 2,2,2-trifluoroacetate | 935668-44-3

• 分子结构分类: 有机化合物
• 英文名称: 3-(methylsulfonyl)azetidine 2,2,2-trifluoroacetate
• 英文别名: 3-(methanesulfonyl)azetidine trifluoroacetate；3-Methylsulfonylazetidine;2,2,2-trifluoroacetic acid
• CAS: 935668-44-3
• 化学式: C₂HF₃O₂*C₄H₉NO₂S
• 分子量: 249.211
• InChiKey: QUDJRCXLYNOXEH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.36
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  91.8
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  3-(methylsulfonyl)azetidine 2,2,2-trifluoroacetate 在 [(2-di-cyclohexylphosphino-3,6-dimethoxy-2’,4’,6’-triisopropyl-1,1‘-biphenyl)-2-(2‘-amino-1,1’-biphenyl)]palladium(II) methanesulfonate 、 9-{[5-(diphenylphosphanyl)-9,9-dimethyl-9H-xanthen-4-yl]diphenyl-λ⁴-phosphanyl}-O-methanesulfonyl-8-methyl-8λ⁴-aza-9-palladatricyclo[8.4.0.0^2,7]tetradeca-1(14),2,4,6,10,12-hexaene-9,9-bis(ylium)-10-uid-9-olate 、 caesium carbonate 作用下， 以 1,4-二氧六环 为溶剂， 反应 32.0h， 生成 (3S,4R)-3-fluoro-1-(4-((5-isopropyl-8-(3-(methylsulfonyl)azetidin-1-yl)isoquinolin-3-yl)amino)pyrimidine-2-yl)-3-methylpiperidin-4-ol
  参考文献：
  名称：

  WO2024008048A1

  摘要：

  公开号：
• 作为产物：
  描述：

  tert-butyl 3-(methylsulfonyl)azetidine-1-carboxylate 、 三氟乙酸 以 二氯甲烷 为溶剂， 生成 3-(methylsulfonyl)azetidine 2,2,2-trifluoroacetate
  参考文献：
  名称：

  WO2024008048A1

  摘要：

  公开号：

文献信息

• TAXANE COMPOUND WITH AZETIDINE RING STRUCTURE
  申请人：Daiichi Sankyo Company, Limited

  公开号：EP1942109A1

  公开（公告）日：2008-07-09

  A compound represented by the general formula (1) [X1 and X2 represent hydrogen atom, a halogen atom, hydroxyl group and the like, R1 represents a phenyl group, R2 represents an alkyl group, an alkenyl group, or an alkoxy group, R3 represents hydrogen atom, a halogen atom, hydroxyl group, or an alkoxy group, R4 represents hydrogen atom, or an alkyl group, Z1 and Z2 represent hydrogen atom, a halogen atom, hydroxyl group and the like, Z3 represents cyano group, an alkyl group, an alkenyl group and the like, Z4 represents an alkyl group, an alkenyl group, an alkynyl group and the like, and ---- represents a single bond or a double bond], which shows high antitumor effect against cancer cells including drug resistant cells.

  一个由通式（1）表示的化合物，其中[X1和X2代表氢原子，卤素原子，羟基等，R1代表苯基，R2代表烷基，烯基或烷氧基，R3代表氢原子，卤素原子，羟基或烷氧基，R4代表氢原子或烷基，Z1和Z2代表氢原子，卤素原子，羟基等，Z3代表氰基，烷基，烯基等，Z4代表烷基，烯基，炔基等，----代表单键或双键]，对包括药物耐药细胞在内的癌细胞表现出高抗肿瘤效果。
• Taxane Compound Having Azetidine Ring Structure
  申请人：Uoto Kouichi

  公开号：US20090186868A1

  公开（公告）日：2009-07-23

  A compound represented by the general formula (1) [X 1 and X 2 represent hydrogen atom, a halogen atom, hydroxyl group and the like, R 1 represents a phenyl group, R 2 represents an alkyl group, an alkenyl group, or an alkoxy group, R 3 represents hydrogen atom, a halogen atom, hydroxyl group, or an alkoxy group, R 4 represents hydrogen atom, or an alkyl group, Z 1 and Z 2 represent hydrogen atom, a halogen atom, hydroxyl group and the like, Z 3 represents cyano group, an alkyl group, an alkenyl group and the like, Z 4 represents an alkyl group, an alkenyl group, an alkynyl group and the like, and represents a single bond or a double bond], which shows high antitumor effect against cancer cells including drug resistant cells.

  一种化合物由通式（1）表示 [其中X1和X2代表氢原子、卤素原子、羟基等，R1代表苯基，R2代表烷基、烯基或烷氧基，R3代表氢原子、卤素原子、羟基或烷氧基，R4代表氢原子或烷基，Z1和Z2代表氢原子、卤素原子、羟基等，Z3代表氰基、烷基、烯基等，Z4代表烷基、烯基、炔基等，且表示单键或双键]，对包括耐药细胞在内的癌细胞具有高抗肿瘤效果。