CAS: 949023-16-9; (4S,5R)-3-Benzoyl-2-(4-Methoxyphenyl)-4-Phenyloxazolidine-5-Carboxylic Acid

• 英文名称(4S,5R)-3-Benzoyl-2-(4-Methoxyphenyl)-4-Phenyloxazolidine-5-Carboxylic Acid
• 中文名称(4R,5S)-3-苯甲酰基-2-(4-甲氧基苯基)-4-苯基-5-噁唑烷羧酸
• IUPAC名称(4S,5R)-3-benzoyl-2-(4-methoxyphenyl)-4-phenyloxazolidine-5-carboxylic acid
• 其它别名(4S,5R)-2-(4-甲氧基苯基)-3-N-苯甲酰基-4-苯基-5-甲酸; Said Chain Of Paclitaxel 1
• CAS编号949023-16-9
• MFCD编号:MFCD11617943
• FDA UNII编号:Y626CGG92V
• 分子式:C24H21NO5
• 分子量:403.43
• 产品CID: 2001666
• 产品分类有机原料→分子砌块→芳环类化合物→苯类化合物

• 相似结构搜索
• InChIKey: RDVJYGYJBUIIOE-ZOAFEQKISA-N
• RDVJYGYJBUIIOE-ZOAFEQKISA-N…
• 计算化学: 氢键受体数4.0氢键供体数1.0可旋转键数5.0

物理性质

• 沸点642.269°C at 760 mmHg
• 闪点342.2±31.5 °C
• 密度1.291
• pKa:2.85±0.60(预测)
• PSA:76.07
• LogP:4.0609
• 折射率1.624
• 蒸汽压0.0±2.0 mmHg at 25°C
• 外观形态白色至类白色固体
• 储存条件密封, 常温干燥保存
• 产品应用该化合物是一种抗癌药物,稳定细胞循环G2/M阶段的微粒细胞并逮捕肿瘤细胞.

MSDS等安全信息

• GHS符号GHS07
• 警示词Warning
• 危险描述H302-H315-H319-H335
• 防范说明P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

上下游产品

合成工艺路线路线简述

• 1206633-27-3 = 949023-16-9
  反应条件:1.1 Reagents: Potassium Hydroxide Solvents: Methanol,Water; Rt; 1 H,Rt1.2 Reagents: Hydrochloric Acid Solvents: Water; Ph 1
  标题:A Novel Semi-Synthesis Method Of Taxol Via Asymmetric Dihydroxylation
  作者:Nan,Pengjuan; He,Wei; Wang,Qiaofeng; Jing,Linlin; Sun,Xiaoli
  参考文献:Zhongguo Yaoxue Zazhi (Beijing 日期:2007 卷标:42(9) 页码:709-712]
  
  1206633-27-3 = 949023-16-9
  反应条件:1.1 Reagents: Potassium Hydroxide Solvents: Ethanol,Water; Rt; 1 H,Rt1.2 Reagents: Hydrochloric Acid Solvents: Water; Ph 1
  标题:Novel Semisynthetic Method Of Paclitaxel Via Asymmetric Aminohydroxylation
  作者:Nan,Pengjuan; Jiang,Ru; Liu,Xueying; Yao,Zhijun; Sun,Xiaoli
  参考文献:Zhongguo Yaowu Huaxue Zazhi 日期:2006 卷标:16(2) 页码:70-73]
  
  = 949023-16-9
  反应条件:1.1 Reagents: Hydrogen Catalysts: Palladium Dihydroxide Solvents: Methanol; 1 H,20 Psi,Rt
  标题:The Synthesis Of Novel Taxoids For Oral Administration
  作者:Jing,Yun-Rong; Zhou,Wei; Li,Wan-Liang; Zhao,Lin-Xiang; Wang,Yong-Feng
  参考文献:Bioorganic & Medicinal Chemistry 日期:2014 卷标:22(1) 页码:194-203]
  
  2500615-96-1 = 949023-16-9
  反应条件:1.1 Reagents: Sodium Carbonate Solvents: Methanol,Water; Ph 9 - 10,Rt1.2 Reagents: Hydrochloric Acid Solvents: Water; Ph 7,Rt
  标题:Method For Synthesizing Taxol Side Chain
  参考文献:China]
  
  2500615-96-1 = 949023-16-9
  反应条件:1.1 Reagents: Potassium Hydroxide Solvents: Methanol,Water; Rt; 2 H,Rt1.2 Reagents: Hydrochloric Acid Solvents: Water; Acidified,Rt
  标题:Synthesis And Biological Activity Of C-7,C-9 And C-10 Modified Taxane Analogues From 1-Deoxybaccatin Vi
  作者:Xie,Chenghu; Cui,Yongmei; Li,Lanlan; Zhang,Minmin; Liu,Hongchun; Et Al
  参考文献:Bioorganic & Medicinal Chemistry 日期:2020 卷标:28(21)]
  
  = 949023-16-9
  反应条件:1.1 Reagents: Hydrogen Catalysts: Palladium Dihydroxide Solvents: Methanol; 1 H,20 Psi,Rt
  标题:Taxanes Compounds As Oral Antitumor Medicaments And Their Preparation,Pharmaceutical Compositions And Use In The Treatment Of Cancer
  参考文献:World Intellectual Property Organization]
  
  = 949023-16-9 [标题:Reaction Conditions
  标题:Design And Synthesis Of De Novo Cytotoxic Alkaloids By Mimicking The Bioactive Conformation Of Paclitaxel
  作者:Sun,Liang; Veith,Jean M.; Pera,Paula; Bernacki,Ralph J.; Ojima,Iwao
  参考文献:Bioorganic & Medicinal Chemistry 日期:2010 卷标:18(19) 页码:7101-7112]
  
  32981-85-4 + 2186-92-7 + 41632-89-7 = 949023-16-9 + 2499962-36-4
  反应条件:1.1 Catalysts: Pyridinium P-Toluenesulfonate Solvents: Toluene; 6 H,Reflux1.2 Reagents: Sodium Hydroxide Solvents: Methanol,Tetrahydrofuran,Water; 25 °C; 3 H,25 °C1.3 Reagents: Hydrochloric Acid Solvents: Water; Ph 1,25 °C
  标题:Preparation Of (4S,5R)-3-Benzoyl-2-(4-Methoxyphenyl)-4-Phenyl-5-Oxazoline Carboxylic Acid Derivatives
  参考文献:China

海关参考信息

• 2902600000-乙苯
  2905122000-异丙醇
  2905310000-1,2-乙二醇
  2905320000-1,2-丙二醇
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