CAS: 94242-85-0; 2,4,4,5,5-Pentamethyl-1,3,2-Dioxaborolane

• 英文名称2,4,4,5,5-Pentamethyl-1,3,2-Dioxaborolane
• 中文名称2,4,4,5,5-五甲基-1,3,2-二氧杂硼烷
• IUPAC名称2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane
• 其它别名甲基硼酸频呐醇酯; 2-甲基硼酸频哪醇酯
• CAS编号94242-85-0
• MFCD编号:MFCD09027082
• EINECS号:689-046-6
• 分子式:C7H15BO2
• 分子量:142.0
• 产品CID: 1991428
• 产品分类有机原料→分子砌块→脂肪杂环类化合物→其它脂肪杂环类化合物

• 相似结构搜索
• InChIKey: FOQJHZPURACERJ-UHFFFAOYSA-N
• InChI=1S/C7H15BO2/c1-6(2)7(3,4)10-8(5)9-6/h1-5H3…
• 计算化学: 氢键受体数2.0氢键供体数0.0可旋转键数0.0

相似化合物

物理性质

• 沸点128.2±9.0 °C at 760 mmHg
• 闪点31.3±18.7°C
• 密度0.88±0.1 g/cm3
• PSA:18.46
• LogP:1.7084
• 折射率1.403
• 蒸汽压13.1±0.2 mmHg at 25°C
• 外观形态无色透明液体
• 储存条件惰性气氛,存放于冰箱中, -20°C
• 产品应用该化合物用于对环环球酮进行立体选择性合成.

MSDS等安全信息

• GHS象形图
• GHS符号GHS02;
  注释: Flame
• 危险类别易燃液体 类别3
• 警示词Warning(警告)
• 危险描述H226 |易燃液体和蒸气.
• 防范说明P210-P233-P240-P241-P242-P243-P280-P303+P361+P353-P370+P378-P403+P235-P501
• 危险等级3
• UN编号3272.0
• 危险品标志Xi
• 包装等级Ⅲ
• 安全声明26-37
• 危险类别码36/37/38

欧盟法规

上下游产品

合成工艺路线路线简述

• 79230-20-9 + 73183-34-3 = 94242-85-0
  反应条件:1.1 2 - 3 S,Rt
  标题:Palladium-Catalyzed Remote Diborylative Cyclization Of Dienes With Diborons Via Chain Walking
  作者:Kanno,Shota; Kakiuchi,Fumitoshi; Kochi,Takuya
  参考文献:Journal Of The American Chemical Society 日期:2021 卷标:143(46) 页码:19275-19281]
  
  73183-34-3 = 94242-85-0
  反应条件:1.1 Reagents: Lithium Tert-Butoxide Solvents: Methanol,Water; 48 H,50 °C
  标题:Transition-Metal-Free Borylation Of Alkyl Iodides Via A Radical Mechanism
  作者:Liu,Qianyi; Hong,Junting; Sun,Beiqi; Bai,Guangcan; Li,Feng; Et Al
  参考文献:Organic Letters 日期:2019 卷标:21(17) 页码:6597-6602]
  
  73183-34-3 = 94242-85-0
  反应条件:1.1 Reagents: Lithium Tert-Butoxide Solvents: Methanol,Water; 48 H,50 °C
  标题:Method For Preparing Alkyl Borate Through Boron Esterification Of Alkyl Halide Without Transition Metal Catalysis
  参考文献:China]
  
  76-09-5 + 13061-96-6 = 94242-85-0
  反应条件:1.1 Catalysts: Calcium Hydride Solvents: Pentane
  标题:Calcium Hydride
  作者:Gawley,Robert E.; Davis,Arnold
  参考文献:E-Eros Encyclopedia Of Reagents For Organic Synthesis 日期:2001]
  
  76-09-5 + 13061-96-6 = 94242-85-0 [标题:Reaction Conditions
  标题:The Influence Of Boryl Substituents On The Formation And Reactivity Of Adjacent And Vicinal Free Radical Centers
  作者:Walton,John C.; Mccarroll,Andrew J.; Chen,Qiao; Carboni,Bertrand; Nziengui,Roger
  参考文献:Journal Of The American Chemical Society 日期:2000 卷标:122(23) 页码:5455-5463]
  
  76-09-5 + 13061-96-6 = 94242-85-0
  反应条件:1.1 Reagents: Calcium Hydride Solvents: Pentane
  标题:Addition Compounds Of Alkali Metal Hydrides. 28. Preparation Of Potassium Dialkoxymonoalkylborohydrides From Cyclic Boronic Esters. A New Class Of Reducing Agents
  作者:Brown,Herbert C.; Park,Won Suh; Cha,Jin Soon; Cho,Byung Tae; Brown,Charles A.
  参考文献:Journal Of Organic Chemistry 日期:1986 卷标:51(3) 页码:337-42]
  
  = 94242-85-0 [标题:Reaction Conditions
  标题:Method For Preparation Of 2-Trifluoromethyl-4,5-Dihydrooxepin Derivatives
  参考文献:Japan]
  
  25015-63-8 = 94242-85-0
  反应条件:1.1 Solvents: P-Xylene,Benzene-D6; Rt
  标题:Mechanistic Studies Of Copper-Catalyzed Asymmetric Hydroboration Of Alkenes
  作者:Xi,Yumeng; Hartwig,John F.
  参考文献:Journal Of The American Chemical Society 日期:2017 卷标:139(36) 页码:12758-12772]
  
  76-09-5 + 13061-96-6 = 94242-85-0
  反应条件:1.1 Reagents: Sulfuric Acid Magnesium Salt (1:1) Solvents: Diethyl Ether; 48 H,25 °C
  标题:Suzuki-Miyaura Cross-Couplings Of Secondary Allylic Boronic Esters
  作者:Glasspoole,Ben W.; Ghozati,Kazem; Moir,Jonathon W.; Crudden,Cathleen M.
  参考文献:Chemical Communications (Cambridge 日期:2012 卷标:48(9) 页码:1230-1232]
  
  76-09-5 + 13061-96-6 = 94242-85-0
  反应条件:1.1 Reagents: Sulfuric Acid Magnesium Salt (1:1) Solvents: Diethyl Ether; 48 H,Rt
  标题:Ring-Opening Lithiation-Borylation Of 2-Trifluoromethyl Oxirane: A Route To Versatile Tertiary Trifluoromethyl Boronic Esters
  作者:Nandakumar,Meganathan; Rubial,Belen; Noble,Adam; Myers,Eddie L.; Aggarwal,Varinder K.
  参考文献:Angewandte Chemie 日期:2020 卷标:59(3) 页码:1187-1191]
  
  73183-34-3 = 94242-85-0
  反应条件:1.1 Catalysts: 2922856-92-4 (Silica Supported) Solvents: Cyclooctane; 16 H,500 Psi,150 °C
  标题:Silica Supported Organometallic Iri Complexes Enable Efficient Catalytic Methane Borylation
  作者:Staples,Orion; Ferrandon,Magali S.; Laurent,Guillaume P.; Kanbur,Uddhav; Kropf,A. Jeremy; Et Al
  参考文献:Journal Of The American Chemical Society 日期:2023 卷标:145(14) 页码:7992-8000]
  
  73183-34-3 = 94242-85-0
  反应条件:1.1 Reagents: Cyclohexane Catalysts: Diaquatetrakis[μ-[4′-[bis(4′-Carboxy[1,1′-Biphenyl]-4-Yl)Phosphino][1,1′-Bipheny... (Reaction Products With Di-μ-Chlorobis(1,5-Cyclooctadiene)Diiridium); 15 H,50 Bar,110 °C; Cooled
  标题:Metal-Organic Framework Stabilizes A Low-Coordinate Iridium Complex For Catalytic Methane Borylation
  作者:Feng,Xuanyu; Song,Yang; Li,Zhe; Kaufmann,Michael; Pi,Yunhong; Et Al
  参考文献:Journal Of The American Chemical Society 日期:2019 卷标:141(28) 页码:11196-11203]
  
  76-09-5 + 13061-96-6 = 94242-85-0
  反应条件:1.1 Reagents: Calcium Hydride Solvents: Pentane
  标题:Calcium Hydride
  作者:Gawley,Robert E.; Davis,Arnold
  参考文献:E-Eros Encyclopedia Of Reagents For Organic Synthesis 日期:2001 卷标:1 页码:1-2]
  
  76-09-5 + 13061-96-6 = 94242-85-0 [标题:Reaction Conditions
  标题:Determination Of Methylboronic Acid In Teboroxime By Capillary Gas Chromatography
  作者:Both,Douglas A.; Ribick,Michael; Jemal,Mohammed
  参考文献:Journal Of Chromatography 日期:1991 卷标:585(2) 页码:348-52]
  
  1195-66-0 = 94242-85-0 + 78782-17-9
  反应条件:1.1 Catalysts: 3,4,7,8-Tetramethyl-1,10-Phenanthroline,Di-μ-Chlorobis[(1,2,5,6-η)-1,5-Cyclooctadiene]Diiridium Solvents: Cyclohexene; 16 H,3447 Kpa,150 °C
  标题:Catalytic Borylation Of Methane
  作者:Smith,Kyle T.; Berritt,Simon; Gonzalez-Moreiras,Mariano; Ahn,Seihwan; Smith,Milton R. Iii; Et Al
  参考文献:Science (Washington 日期:2016 卷标:351(6280) 页码:1424-1427]
  
  73183-34-3 = 94242-85-0 + 78782-17-9 + 87100-15-0 + 25015-63-8
  反应条件:1.1 Catalysts: Rhodium,[(1,2,3,4,5,6-η)-Hexamethylbenzene][(1,2,3,4,5-η)-1,2,3,4,5-Pentamethyl... Solvents: Cyclohexane; 14 H,3500 Kpa,150 °C
  标题:Catalyst-Controlled Selectivity In The C-H Borylation Of Methane And Ethane
  作者:Cook,Amanda K.; Schimler,Sydonie D.; Matzger,Adam J.; Sanford,Melanie S.
  参考文献:Science (Washington 日期:2016 卷标:351(6280) 页码:1421-1424

海关参考信息

• 2905122000-异丙醇
  2905143000-叔丁醇
  2905310000-1,2-乙二醇
  2905320000-1,2-丙二醇
• 💡 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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• ➥ 危险代码说明
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