CAS: 7640-51-9; 10-(2-(Dimethylamino)Propyl)-10H-Phenothiazine 5-Oxide

• 英文名称10-(2-(Dimethylamino)Propyl)-10H-Phenothiazine 5-Oxide
• 中文名称异丙嗪亚砜
• IUPAC名称10-(2-(dimethylamino)propyl)-10H-phenothiazine 5-oxide
• 其它别名N-[2-(Dimethylamino)Propyl]Phenothiazine S-Oxide; Promethazine 5-Sulfoxide; N,N,A-Trimethyl-10H-Phenothiazine-10-Ethanamine 5-Oxide; Promethazine 5-Oxide; Romergan Sulfoxide; Promethazine Sulfoxide; N,N,α-Trimethyl-10H-Phenothiazine-10-Ethanamine 5-Oxide; Promethazine Ep Impurity D
• CAS编号7640-51-9
• MFCD编号:MFCD08063694
• EINECS号:642-098-3
• FDA UNII编号:G44A4PX06U
• 分子式:C17H20N2OS分子量:300.43
• 产品CID: 1756156
• 产品分类化学试剂 → 有机试剂 → 砜、亚砜类化合物

• 相似结构搜索
• InChIKey: OWTCLFIFAFHQIX-UHFFFAOYNA-N
• InChI=1S/C17H20N2OS/c1-13(18(2)3)12-19-14-8-4-6-10-16(14)21(20)17-11-7-5-9-15(17)19/h4-11,13H,12H2,1-3H3
• 计算化学: 氢键受体数3.0氢键供体数*可旋转键数3.0

物理性质

• 沸点461.6±34.0 °C(预测)
• 闪点233 °C
• 密度1.27±0.1 g/cm3(预测)
• pKa:8.90±0.50(预测)
• PSA:42.76
• LogP:4.1856
• 折射率1.678
• 蒸汽压1.06E-08 mmHg at 25 °C
• 溶解性Chloroform, Methanol (Slightly)
• 外观形态浅紫色至紫色固体
• 储存条件密封干燥,2-8°C
• 产品应用该化合物是甲胺H1受体对立的甲苯胺代谢物.

MSDS等安全信息

• 警示词Danger
• 危险描述H302-H318-H411-
• 防范说明P273-P280-P301+P312+P330-P305+P351+P338+P310-
• UN编号3077
• 安全声明H303+H313+H333

上下游产品

合成工艺路线路线简述

• 58-33-3 + 16917-09-2 = 7640-51-9 + 98-10-2
  反应条件:1.1 Reagents: Perchloric Acid Solvents: Water; 24 H,303 K
  标题:Comparative Study On The Oxidation Kinetics Of Structural Isomers By Acidified N-Bromo-Benzenesulfonamide: A Mechanistic Determination
  作者:Viswanathan,Sushma Nurani; Pranesh,Shubha Jayachamarajapura; Swamy,Puttaswamy
  参考文献:Chemistry Africa 日期:2019 卷标:2(3) 页码:435-441]
  
  60-87-7 = 7640-51-9
  反应条件:1.1 Reagents: Sodium Nitrite,Hydrochloric Acid Solvents: Water
  标题:Convenient Oxidation Of Phenothiazine Salts To Their Sulfoxides With Aqueous Nitrous Acid
  作者:Owens,Margart L.; Juenge,Eric C.; Poklis,Alphonse
  参考文献:Journal Of Pharmaceutical Sciences 日期:1989 卷标:78(4) 页码:334-6]
  
  58-33-3 = 7640-51-9
  反应条件:1.1 Reagents: Peroxyadipic Acid Solvents: Water; 15 Min,Rt
  标题:A Comparative Study Of The Effect Of Phenothiazine Derivatives And Their S-Oxides On Cholinesterase Investigated By A New Kinetic Spectrophotometric Method
  作者:Kovalenko,V. S.; Blazheyevskiy,M. Ye.; Merzlikin,S. I.
  参考文献:Zhurnal Organichnoi Ta Farmatsevtichnoi Khimii 日期:2022 卷标:20(1) 页码:35-43]
  
  58-33-3 = 7640-51-9
  反应条件:1.1 Reagents: Oxygen Catalysts: Nitrous Acid Solvents: Acetonitrile1.2 Solvents: Dichloromethane
  标题:Catalytic Oxidation Of Chlorpromazine And Related Phenothiazines. Cation Radicals As The Reactive Intermediates In Sulfoxide Formation
  作者:Bosch,Eric; Kochi,Jay K.
  参考文献:Journal Of The Chemical Society 日期:1995 卷标:(8) 页码:1057-64]
  
  60-87-7 = 7640-51-9 [标题:Reaction Conditions
  标题:Applicability Of The Short-Time Test To Oxidation-Sensitive Drugs. Part 1: Kinetics Of Promethazine Oxidation
  作者:Kottke,Dagmar; Klingenberg,Dagmar; Beyrich,T.
  参考文献:Pharmazie 日期:1984 卷标:39(1) 页码:34-6

海关参考信息

• 2921211000-乙二胺
  2921440000-二苯胺
  2930909099-其他有机硫化合物
• 💡 提示：海关信息按照顺序优先匹配，如需确认的海关信息，请参考相关资料。
• 详情请参考：📖 海关编码查询和海关进出口税则

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