CAS: 947686-09-1; Phenyl (S)-Methyl(3-(Naphthalen-1-Yloxy)-3-(Thiophen-2-yl)Propyl)Carbamate

• 英文名称Phenyl (S)-Methyl(3-(Naphthalen-1-Yloxy)-3-(Thiophen-2-yl)Propyl)Carbamate
• 中文名称度洛西汀杂质A
• IUPAC名称phenyl (S)-methyl(3-(naphthalen-1-yloxy)-3-(thiophen-2-yl)propyl)carbamate
• 其它别名N-Methyl-N-[(3S)-3-(1-Naphthalenyloxy)-3-(2-Thienyl)Propyl]Carbamic Acid Phenyl Ester; Duloxetine Phenyl Carbamate; Phenyl (S)-Methyl(3-(Naphthalen-1-Yloxy)-3-(Thiophen-2-yl)Propyl)Carbamate; Duloxetine Impurity 10; Carbamic Acid, N-Methyl-N-[(3S)-3-(1-Naphthalenyloxy)-3-(2-Thienyl)Propyl]-, Phenyl Ester; Duloxetine Phenyl Carbamate Impurity; (S)-Phenyl Methyl(3-(Naphthalen-1-Yloxy); (S)-(+)-[n-Methyl-[3-(1-Naphthalenyloxy)-3-(2-Thienyl)Propyl]Carbamic Acid]Phenyl Ester
• CAS编号947686-09-1
• 分子式:C25H23NO3S分子量:417.53
• 产品CID: 2000084

• 相似结构搜索
• InChIKey: OSNZKJGSXFMSCS-QHCPKHFHSA-N
• InChI=1S/C25H23NO3S/c1-26(25(27)28-20-11-3-2-4-12-20)17-16-23(24-15-8-18-30-24)29-22-14-7-10-19-9-5-6-13-21(19)22/h2-15,18,23H,16-17H2,1H3/t23-/m0/s1
• 计算化学: 氢键受体数*氢键供体数*可旋转键数*

物理性质

• 沸点589.9±50.0 °C (760 mmHg)
• 密度1.237±0.06 g/cm3 (20 °C, 760 mmHg)
• pKa:-1.75±0.70(预测)
• PSA:67.01
• LogP:6.5423
• 溶解性Dichloromethane (Slightly), DMSO (Slightly)
• 外观形态无色凝胶状物
• 储存条件冰箱, 置于惰性气氛下

MSDS等安全信息

上下游产品

合成工艺路线路线简述

• 合成目标产物 Duloxetine Impurity A 主要起始原料 (S)-(+)-N,N-Dimethyl-3-(1-Naphthalenyloxy)-3-(2-Thienyl)Propanamine And Phenyl Chloroformate
• (文献来源)合成步骤主要原料 (S)-(+)-N,N-Dimethyl-3-(1-Naphthalenyloxy)-3-(2-Thienyl)Propanamine 和 Phenyl Chloroformate

海关参考信息

• 2902902000-精萘
  2905121000-正丙醇
  2912110000-甲醛
  2915110000-甲酸
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其他信息查阅

• ➥ 象形图和危险代码
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