CAS: 935-56-8; 1-Chloroadamantane

• 英文名称1-Chloroadamantane
• 中文名称1-氯金刚烷
• IUPAC名称1-chloroadamantane
• 其它别名1-Adamantyl chloride; 1-Chlorotricyclo[3.3.1.13,7]decane
• CAS编号935-56-8
• MFCD编号:MFCD00075627
• EINECS号:213-305-0
• FDA UNII编号:HOZ9S5Z71H
• 分子式:C10H15Cl
• 分子量:170.68
• 产品CID: 1975148
• 产品分类有机原料 → 烃类化合物及其衍生物 → 烃类卤化物

• 相似结构搜索
• InChIKey: OZNXTQSXSHODFR-UHFFFAOYSA-N
• InChI=1S/C10H15Cl/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6H2…
• 计算化学: 氢键受体数0.0氢键供体数0.0可旋转键数0.0

物理性质

• 熔点165-166  °C(文献)
• 沸点232.8±9.0 °C at 760 mmHg
• 闪点82.3±4.5 °C
• 密度1.1±0.1 g/cm3
• PSA:0.0
• LogP:3.85
• 折射率1.533
• 蒸汽压0.1±0.4 mmHg at 25°C
• 溶解性DMSO, Methanol (Slightly)
• 敏感性常温常压下稳定，避免氧化物 水分接触
• 外观形态类白色结晶
• 储存条件2-8°C
• 产品应用该化合物用于通过气溶胶直接氟化物合成全氟丁烷衍生物的前体.
• 性质描述熔点163-166°C

MSDS等安全信息

• GHS象形图
• GHS符号GHS07 & GHS05 & GHS09;
  注释: Exclamation mark & Corrosion & Environment
• 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
  严重眼损伤 类别1
  水生慢性毒性 类别1
  严重眼刺激 类别2
• 警示词Danger(危险)
• 危险描述H335 |可能引起呼吸道刺激.
  H315 |造成皮肤刺激.
  H318 |造成严重眼损伤.
  H410 |对水生生物毒性极大并具有长期持续影响.
  H319 |造成严重眼刺激.
• 防范说明P280-P305+P351+P338
• UN编号NONH for all modes of transport
• 危险品标志Xi
• 安全声明24/25
• 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 1-Chloroadamantane 主要起始原料 1-Adamantanol
• 768-95-6 = 935-56-8
  反应条件:1.1 Reagents: Oxalyl Chloride Catalysts: Dimethylformamide Solvents: Dichloromethane; Rt; 18 H,Rt
  标题:Preparation Of Tripartite Androgen Receptor Eliminators Useful For Treating An Androgen Receptor Signaling-Mediated Diseases
  参考文献:World Intellectual Property Organization]
  
  25236-60-6 = 935-56-8
  反应条件:1.1 Reagents: Iron Chloride (Fecl3) Solvents: Dichloromethane; 5 Min,Rt
  标题:Iron(Iii)-Catalyzed Halogenations By Substitution Of Sulfonate Esters
  作者:Ortega,Nuria; Feher-Voelger,Andres; Brovetto,Margarita; Padron,Juan I.; Martin,Victor S.; Et Al
  参考文献:Advanced Synthesis & Catalysis 日期:2011 卷标:353(6) 页码:963-972]
  
  281-23-2 = 935-56-8
  反应条件:1.1 Reagents: Carbon Tetrachloride Catalysts: Acetonitrile,Tris(Acetylacetonato)Manganese Solvents: Carbon Tetrachloride; 1 H,200 °C
  标题:Chlorination Of Adamantane And Its Derivatives By Carbon Tetrachloride In The Presence Of Manganese,Vanadium,And Molybdenum-Containing Catalysts
  作者:Khusnutdinov,R. I.; Shchadneva,N. A.; Baiguzina,A. R.; Lavrent'Eva,Yu. Yu.; Burangulova,R. Yu.; Et Al
  参考文献:Neftekhimiya 日期:2004 卷标:44(2) 页码:148-155]
  
  281-23-2 = 935-56-8
  反应条件:1.1 Reagents: Sulfuric Acid Solvents: Carbon Tetrachloride
  标题:Biologically Active Polycycloalkanes. 1. Antiviral Adamantane Derivatives
  作者:Aigami,Koji; Inamoto,Yoshiaki; Takaishi,Naotake; Hattori,Kenichi; Takatsuki,Akira; Et Al
  参考文献:Journal Of Medicinal Chemistry 日期:1975 卷标:18(7) 页码:713-21]
  
  768-95-6 = 935-56-8
  反应条件:1.1 Reagents: Chloroform,Polyisoprene Catalysts: Titanium,Iron(Iii) Acetylacetonate Solvents: Chloroform; 0.5 H,25 °C
  标题:Chlorination Method And Catalyst System For The Synthesis Of 1- And 2-Chloroadamantanes From 1- And 2-Adamantanols And Chloroform
  参考文献:Russian Federation]
  
  828-51-3 = 935-56-8
  反应条件:1.1 Reagents: Tert-Butyl Hypochlorite Catalysts: Silver(1+),Bis(1,10-Phenanthroline-Kn1,Kn10)-,(T-4)-,1,1,1-Trifluoromethanesu... Solvents: Acetonitrile; 3 H,Rt
  标题:Silver-Catalyzed Decarboxylative Chlorination Of Aliphatic Carboxylic Acids
  作者:Wang,Zhentao; Zhu,Lin; Yin,Feng; Su,Zhongquan; Li,Zhaodong; Et Al
  参考文献:Journal Of The American Chemical Society 日期:2012 卷标:134(9) 页码:4258-4263]
  
  768-95-6 = 935-56-8
  反应条件:1.1 Reagents: Carbon Tetrachloride,Phosphine,[4-(1R,2R,4R)-Bicyclo[2.2.1]Hept-5-En-2-Ylphenyl]Diphenyl-,Rel-,Tri... Solvents: Dichloromethane
  标题:Rompgel-Supported Triphenylphosphine With Potential Application In Parallel Synthesis
  作者:Aarstad,Erik; Barrett,Anthony G. M.; Hopkins,Brian T.; Koebberling,Johannes
  参考文献:Organic Letters 日期:2002 卷标:4(11) 页码:1975-1977]
  
  768-92-3 = 935-56-8
  反应条件:1.1 Reagents: Titanium Tetrachloride Solvents: Dichloromethane
  标题:Halogen-Exchange Reactions Between Alkyl Fluorides And Boron Trihalides Or Titanium Tetrahalides. A Convenient Synthesis Of Alkyl Halides From Alkyl Fluorides
  作者:Namavari,Mohammad; Satyamurthy,N.; Barrio,Jorge R.
  参考文献:Journal Of Fluorine Chemistry 日期:1995 卷标:72(1) 页码:89-93]
  
  768-95-6 = 935-56-8
  反应条件:1.1 Reagents: Tin Tetrachloride
  标题:A Simple Method For The Conversion Of Adamantyl,Benzyl And Benzyhydryl Alcohols To Their Corresponding Bromides And Chlorides And The Transhalogenation Of Adamantyl,Benzyl,Benzhydryl And Tertiary Alkyl Bromides And Chlorides
  作者:Amrollah-Madjdabadi,A.; Pham,Tung N.; Ashby,E. C.
  参考文献:Synthesis 日期:1989 卷标:(8) 页码:614-16]
  
  2094-72-6 = 935-56-8
  反应条件:1.1 Reagents: Carbon Tetrachloride,Sodium Pyrithione Catalysts: 4-(Dimethylamino)Pyridine Solvents: Carbon Tetrachloride
  标题:Synthesis Of Bridgehead Halides By Barton Halodecarboxylation
  作者:Della,Ernest W.; Tsanaktsidis,John
  参考文献:Australian Journal Of Chemistry 日期:1989 卷标:42(1) 页码:61-9]
  
  281-23-2 = 935-56-8
  反应条件:1.1 Reagents: Carbon Tetrachloride Catalysts: Acetonitrile,Tris(Acetylacetonato)Manganese; 1 H,200 °C
  标题:Method Of Synthesis Of 1-Chloroadamantane And Chlorodiamantanes
  参考文献:Russian Federation]
  
  118334-83-1 = 935-56-8
  反应条件:1.1 Reagents: Dabco Solvents: Carbon Tetrachloride,Tert-Butanol,Water
  标题:Photochemical Chlorodecarboxylation Via An Electron Transfer Mechanism
  作者:Okada,Keiji; Okamoto,Kazushige; Oda,Masaji
  参考文献:Journal Of The Chemical Society 日期:1989 卷标:(21) 页码:1636-7]
  
  612058-38-5 = 935-56-8
  反应条件:1.1 Reagents: Diisopropyl Azodicarboxylate Solvents: Dichloromethane; 1 Min,Rt1.2 Reagents: Chlorotrimethylsilane; 15 Min,Rt
  标题:Alkylphosphinites As Synthons For Stabilized Carbocations
  作者:Ochmann,Lukas; Kessler,Mika L.; Schreiner,Peter R.
  参考文献:Organic Letters 日期:2022 卷标:24(7) 页码:1460-1464]
  
  828-51-3 = 935-56-8
  反应条件:1.1 Reagents: Tert-Butyl Hypochlorite Catalysts: Silver(1+),Bis(1,10-Phenanthroline-Kn1,Kn10)-,(T-4)-,1,1,1-Trifluoromethanesu... Solvents: Acetonitrile; Rt
  标题:Catalytic Decarboxylation/carboxylation Platform For Accessing Isotopically Labeled Carboxylic Acids
  作者:Tortajada,Andreu; Duan,Yaya; Sahoo,Basudev; Cong,Fei; Toupalas,Georgios; Et Al
  参考文献:Acs Catalysis 日期:2019 卷标:9(7) 页码:5897-5901]
  
  281-23-2 = 935-56-8
  反应条件:1.1 Reagents: Carbon Tetrachloride Catalysts: Iron(Iii) Acetylacetonate Solvents: Ethanol; 6 H,160 °C
  标题:Method Of Producing 1-Chloroadamantane
  参考文献:Russian Federation]
  
  768-95-6 = 935-56-8
  反应条件:1.1 Reagents: Benzil,Chlorodimethylsilane Catalysts: Indium Trichloride Solvents: Dichloromethane; 82 H,Rt
  标题:Direct Chlorination Of Alcohols: Synthesis Of Ethyl 3-Chloro-3-Phenylpropanoate [benzenepropanoic Acid,β-Chloro-,Ethyl Ester]
  作者:Yasuda,Makoto; Yamasaki,Satoshi; Onishi,Yoshiyuki; Baba,Akio
  参考文献:Organic Syntheses 日期:2006 卷标:83 页码:38-44]
  
  768-95-6 = 935-56-8
  反应条件:1.1 Reagents: Benzil,Chlorodimethylsilane Catalysts: Indium Trichloride Solvents: Dichloromethane; 82 H,Rt1.2 Reagents: Sodium Bicarbonate Solvents: Water; Rt
  标题:Indium-Catalyzed Direct Chlorination Of Alcohols Using Chlorodimethylsilane-Benzil As A Selective And Mild System
  作者:Yasuda,Makoto; Yamasaki,Satoshi; Onishi,Yoshiyuki; Baba,Akio
  参考文献:Journal Of The American Chemical Society 日期:2004 卷标:126(23) 页码:7186-7187]
  
  768-95-6 = 935-56-8
  反应条件:1.1 Reagents: Triphenylphosphine,Selenium,Dichlorodimethyl-,(T-4)- Solvents: Chloroform
  标题:Triphenylphosphine/dichloroselenurane: A New Reagent For A Selective Conversion Of Alcohols Into Alkyl Chlorides
  作者:Drabowicz,Jozef; Luczak,Jerzy; Mikolajczyk,Marian
  参考文献:Journal Of Organic Chemistry 日期:1998 卷标:63(25) 页码:9565-9568]
  
  768-95-6 = 935-56-8
  反应条件:1.1 Reagents: Hydrochloric Acid Solvents: Water; 2 H,Rt
  标题:2-Ethyl-3-(4-Hydroxybenzoyl)Benzofuran Compounds And Their Preparation,Pharmaceutical Compositions And Use In The Treatment Of Hyperuricemia And Gout
  参考文献:China]
  
  24375-05-1 = 935-56-8 [标题:Reaction Conditions
  标题:Thermolysis Of N,N-Dihalo Derivatives Of Bridgehead And Neopentylamines To The Corresponding Halides
  作者:Roberts,John T.; Rittberg,Barry R.; Kovacic,Peter; Scalzi,Francis V.; Seely,Michael J.
  参考文献:Journal Of Organic Chemistry 日期:1980 卷标:45(26) 页码:5239-43

海关参考信息

• 2903110000-一氯甲烷及氯乙烷
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