CAS: 94594-90-8; (3As,6R,7Ar)-8,8-Dimethylhexahydro-1H-3A,6-Methanobenzo[c]Isothiazole 2,2-Dioxide

• 英文名称(3As,6R,7Ar)-8,8-Dimethylhexahydro-1H-3A,6-Methanobenzo[c]Isothiazole 2,2-Dioxide
• 中文名称(3aS,6R,7aR)-8,8-二甲基六氢-1H-3a,6-甲桥苯并[c]异噻唑 2,2-二氧化物
• IUPAC名称(3aS,6R,7aR)-8,8-dimethylhexahydro-3H-3a,6-methanobenzo[c]isothiazole 2,2-dioxide
• 其它别名(2R)-茨烷-10,2-磺内酰胺; 8,8-Dimethyloctahydro-4,7-Methano-2,1-Benzothiazole 2,2-Dioxide
• CAS编号94594-90-8
• MFCD编号:MFCD00066271
• EINECS号:628-426-8
• 分子式:C10H17NO2S
• 分子量:215.31
• 产品CID: 1997548
• 产品分类有机原料→分子砌块→桥环类化合物→其它桥环类化合物

• 相似结构搜索
• InChIKey: IHFYOCYXHWUKQJ-UHFFFAOYNA-N
• InChI=1S/C10H17NO2S/c1-9(2)7-3-4-10(9)6-14(12,13)11-8(10)5-7/h7-8,11H,3-6H2,1-2H3/t7-,8-,10-/m1/s1…
• 计算化学: 氢键受体数2.0氢键供体数1.0可旋转键数0.0

相似化合物

物理性质

• 熔点181-183°C
• 沸点324.8±25.0 °C at 760 mmHg
• 闪点150.3±23.2 °C
• 密度1.3±0.1 g/cm3
• PH:-33 º (c=4.9, CHCl3)
• pKa:11.05±0.40(预测)
• PSA:46.17
• LogP:1.1143
• 旋光度-33º(C=4.9,CHCL3)
• 折射率1.567
• 蒸汽压0.0±0.7 mmHg at 25°C
• 溶解性Chloroform, Ethanol, Methanol
• 敏感性常温常压下稳定，避免与碱，氧化剂接触。
• 外观形态透明无色液体
• 储存条件密封, 常温干燥保存
• 产品应用该化合物用于合成手动Α,Γ替代的Γ-丁丙烯酯.
• 性质描述熔点183-185°C

MSDS等安全信息

• GHS象形图
• GHS符号GHS07;
  注释: Exclamation mark
• 危险类别特定目标器官毒性 - 单次接触 类别3
  皮肤腐蚀/刺激 类别2
  严重眼刺激 类别2
• 警示词Warning(警告)
• 危险描述H335 |可能引起呼吸道刺激.
  H315 |造成皮肤刺激.
  H319 |造成严重眼刺激.
• 防范说明P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
• 危险品标志Xi
• 安全声明26-37/39-36
• 危险类别码36/37/38
• WGK Germany3

欧盟法规

上下游产品

合成工艺路线路线简述

• 合成目标产物 (2R)-Bornane-10,2-Sultam 主要起始原料 Methanone, [(5R)-4,5-Dihydro-3-Methyl-5-Isoxazolyl][(3As,6R,7Ar)-Tetrahydro-8,8-Dimethyl-2,2-Dioxido-3H-3A,6-Methano-2,1-Benzisothiazol-1(4H)-Yl]-
• 60933-63-3 = 94594-90-8
  反应条件:1.1 Reagents: Sodium Methoxide Solvents: Methanol; 3 H,Rt; 15 H,Reflux
  标题:Synthesis Of 1S-(+)-(Camphorsulfonyl)Oxaziridine
  作者:Deng,Qi-Hua
  参考文献:Huaxue Shijie 日期:2013 卷标:54(12) 页码:737-739]
  
  60886-80-8 = 94594-90-8
  反应条件:1.1 Reagents: Lithium Aluminum Hydride Solvents: Tetrahydrofuran
  标题:Chemistry Of Oxaziridines. 11. (Camphorylsulfonyl)Oxaziridine: Synthesis And Properties
  作者:Davis,Franklin A.; Towson,James C.; Weismiller,Michael C.; Lal,Sankar; Carroll,Patrick J.
  参考文献:Journal Of The American Chemical Society 日期:1988 卷标:110(25) 页码:8477-82]
  
  60886-80-8 = 94594-90-8
  反应条件:1.1 Reagents: Lithium Aluminum Hydride Solvents: Tetrahydrofuran
  标题:Synthesis And Structure Of R-(+)-Camphor Derived N-Propionyl Sultam
  作者:Huang,Jin-Xia; Pan,Yi-Jun; Xu,Zhang-Huang; Chen,Liao-Rong; Luo,Bao-Sheng
  参考文献:Chemical Research In Chinese Universities 日期:1995 卷标:11(1) 页码:32-8]
  
  60886-80-8 = 94594-90-8
  反应条件:1.1 Reagents: Lithium Aluminum Hydride Solvents: Tetrahydrofuran; 3 - 4 H,Reflux; Reflux -> Rt; 3 - 4 H,Rt1.2 Solvents: Ethyl Acetate; 0 °C1.3 Reagents: Water; 0 °C
  标题:Improved Procedure For The Synthesis Of (2R)-N-Propenoylbornane-2,10-Sultam
  作者:Laha,Joydev K.
  参考文献:Organic Preparations And Procedures International 日期:2008 卷标:40(2) 页码:209-213]
  
  464-49-3 = 94594-90-8 [标题:Reaction Conditions
  标题:An Effective And Convenient Method For The Preparation Of Kad-1229
  作者:Liu,Jianchao; Yang,Yushe; Ji,Ruyun
  参考文献:Helvetica Chimica Acta 日期:2004 卷标:87(8) 页码:1935-1939]
  
  60886-80-8 = 94594-90-8
  反应条件:1.1 Reagents: Lithium Aluminum Hydride Solvents: Tetrahydrofuran
  标题:Methylenecyclopropanes. Xi. Asymmetric Nickel(0)-Catalyzed [3 + 2]-Cycloadditions Of Methylenecyclopropanes With Chiral Derivatives Of Acrylic Acid
  作者:Binger,Paul; Brinkmann,Axel; Roefke,Petra; Schaefer,Bernd
  参考文献:Liebigs Annalen Der Chemie 日期:1989 卷标:(8) 页码:739-50]
  
  3144-16-9 = 94594-90-8 [标题:Reaction Conditions
  标题:Total Synthesis Of Complex Biosynthetic Late-Stage Intermediates And Bioconversion By A Tailoring Enzyme From Jerangolid Biosynthesis
  作者:Lindner,Frederick; Friedrich,Steffen; Hahn,Frank
  参考文献:Journal Of Organic Chemistry 日期:2018 卷标:83(22) 页码:14091-14101]
  
  60886-80-8 = 94594-90-8
  反应条件:1.1 Reagents: Sodium Borohydride Solvents: Methanol,Water
  标题:A Two-Step Synthesis Of Camphosultam
  作者:Capet,M.; David,F.; Bertin,L.; Hardy,J. C.
  参考文献:Synthetic Communications 日期:1995 卷标:25(21) 页码:3323-7]
  
  60886-80-8 = 94594-90-8
  反应条件:1.1 Reagents: Sodium Borohydride Solvents: Tetrahydrofuran
  标题:Improved Method For The Synthesis Of (-)-Camphorsultam
  作者:Yu,Guang'Ao; Mei,Xingguo; Xu,Yyajie; Fang,Guosu; Huang,Jinxia
  参考文献:Huaxue Shiji 日期:2000 卷标:22(4) 页码:235-236]
  
  60886-80-8 = 94594-90-8
  反应条件:1.1 Reagents: Lithium Aluminum Hydride Solvents: Tetrahydrofuran
  标题:10-Camphorsulfonyl Chloride
  作者:Charette,Andre B.; Yao,Qingwei
  参考文献:E-Eros Encyclopedia Of Reagents For Organic Synthesis 日期:2009 卷标:1 页码:1-8]
  
  1338955-40-0 = 94594-90-8
  反应条件:1.1 Reagents: Lithium Hydroxide,Hydrogen Peroxide; 12 H
  标题:Stereoselective Synthesis Of (3S,5S,6S)-Tetrahydro-6-Isopropyl-3,5-Dimethylpyran-2-One; A C5-Epimer Of A Component Of A Natural Sex Pheromone Of The Wasp Macrocentrus Grandii,The Larval Parasitoid Of The European Corn Borer Ostrinia Nubilalis
  作者:Shklyaruck,Denis; Matiushenkov,Evgenii
  参考文献:Tetrahedron: Asymmetry 日期:2011 卷标:22(13) 页码:1448-1454]
  
  60886-80-8 = 94594-90-8
  反应条件:1.1 Reagents: Lithium Aluminum Hydride Solvents: Tetrahydrofuran; 6 H,90 °C1.2 Reagents: Hydrochloric Acid Solvents: Water; 0 °C
  标题:Palladium-Catalyzed Stereoselective Cyclization Of In Situ Formed Allenyl Hemiacetals: Synthesis Of Rosuvastatin And Pitavastatin
  作者:Spreider,Pierre A.; Breit,Bernhard
  参考文献:Organic Letters 日期:2018 卷标:20(11) 页码:3286-3290]
  
  60886-80-8 = 94594-90-8
  反应条件:1.1 Reagents: Sodium Borohydride Solvents: Isopropanol,Water; 2 H,30 - 40 °C; 2 H,30 - 40 °C; 40 °C -> 20 °C; 10 - 20 °C1.2 Reagents: Hydrochloric Acid Solvents: Water; 1 H,Ph 1,10 - 30 °C1.3 Solvents: Water; 1 H,14 - 19 °C; 1 H,0 - 5 °C
  标题:Method For Producing Camphorsultam
  参考文献:European Patent Organization]
  
  60886-80-8 = 94594-90-8
  反应条件:1.1 Reagents: Lithium Aluminum Hydride Solvents: Tetrahydrofuran
  标题:New Fluorinating Reagents. I. The First Enantioselective Fluorination Reaction
  作者:Differding,Edmond; Lang,Robert W.
  参考文献:Tetrahedron Letters 日期:1988 卷标:29(47) 页码:6087-90]
  
  = 94594-90-8
  反应条件:1.1 Reagents: Lithium Hydroxide Solvents: Tetrahydrofuran,Water1.2 Reagents: Hydrochloric Acid Solvents: Water
  标题:Asymmetric Dihydroxylations Of β-Substituted N-(α,β-Enoyl)Bornane-10,2-Sultams
  作者:Oppolzer,Wolfgang; Barras,Jean Pierre
  参考文献:Helvetica Chimica Acta 日期:1987 卷标:70(7) 页码:1666-75]
  
  60886-80-8 = 94594-90-8
  反应条件:1.1 Reagents: Sodium Borohydride
  标题:Influence Of Norbornanone Substituents On Both The Wagner-Meerwein Skeletal Rearrangements Under Sulfonation Conditions And The Diastereoselectivity Of The Corresponding N,N'-Bis-Fumaroyl Sultams In Uncatalyzed Diels-Alder Cycloadditions To Cyclopenta-1,3-Diene
  作者:Piatek,Anna; Chapuis,Christian
  参考文献:Tetrahedron Letters 日期:2013 卷标:54(32) 页码:4247-4249

专利信息

其他信息查阅

• ➥ 象形图和危险代码
• ➥ 防范代码详解
• ➥ 危险代码说明
• ➥ Globally Harmonized System
• ➥ REACH监管