CAS: 79-50-5; 3-Hydroxy-4,4-Dimethyldihydrofuran-2(3H)-One

• 英文名称3-Hydroxy-4,4-Dimethyldihydrofuran-2(3H)-One
• 中文名称DL-泛酰内酯
• IUPAC名称3-hydroxy-4,4-dimethyldihydrofuran-2(3H)-one
• 其它别名Dl-Pantolactone ; 79-50-5 ; 3-Hydroxy-4,4-Dimethyldihydrofuran-2(3H)-One ; 3-Hydroxy-4,4-Dimethyloxolan-2-One ; Dl-Pantoyl Lactone ; Pantoyl Lactone ; 2(3H)-Furanone, Dihydro-3-Hydroxy-4,4-Dimethyl- ; (+/-)-Pantolactone ; Dihydro-3-Hydroxy-4,4-Dimethyl-2(3H)-Furanone ; Iid
• CAS编号79-50-5
• MFCD编号:MFCD00064333
• EINECS号:201-210-7
• 分子式:C6H10O3
• 分子量:130.14
• 产品CID: 1789470
• 产品分类有机原料→分子砌块→脂肪杂环类化合物→四氢呋喃类化合物

• 相似结构搜索
• InChIKey: SERHXTVXHNVDKA-UHFFFAOYNA-N
• InChI=1/C6H10O3/c1-6(2)3-9-5(8)4(6)7/h4,7H,3H2,1-2H3…
• 计算化学: 氢键受体数3.0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74-78°C
• 沸点224.6°C at 760 mmHg
• 闪点122°C
• 密度1.165±0.06 g/cm3(预测)
• pKa:13.12±0.40(预测)
• PSA:46.53
• LogP:-0.0697
• 蒸汽压0.06 [mmHg]
• 溶解性水: Soluble1G/10 Ml, Clear, Colorless To Almost Colorless
• 外观形态无色凝胶状物至白色至类白色固体
• 储存条件密封, 常温干燥保存
• 产品应用该品为泛酸的中间体,也用于其他有机合成.
• 性质描述潮解性柱状结晶.熔点80°C,沸点130°C(2.4kPa).易溶于水,溶于醇,醚,苯,氯仿和二硫化碳.

MSDS等安全信息

• GHS象形图
• GHS符号GHS07;
  注释: Exclamation mark
• 危险类别严重眼刺激 类别2
  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2A
• 警示词Warning(警告)
• 危险描述H319 |造成严重眼刺激.
  H335 |可能引起呼吸道刺激.
  H315 |造成皮肤刺激.
• 防范说明P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
• UN编号NONH for all modes of transport
• 安全声明22-24/25-37/39-26
• 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 Dl-Pantolactone 主要起始原料 2,4-Dihydroxy-3,3-Dimethylbutanoic Acid
• 13031-04-4 = 79-50-5
  反应条件:1.1 Reagents: Hydrogen Catalysts: Divinylbenzene-Styrene Copolymer (Sulfonated),Iridium(1+),[(1,2,5,6-η)-1,5-Cyclooctadiene]Bis(1,3,5-Triaza-7-Phosphatricyclo[... Solvents: Water; 7 H,20 Bar,80 °C
  标题:Facile Heterogeneous Catalytic Hydrogenations Of C:N And C:O Bonds In Neat Water: Anchoring Of Water-Soluble Metal Complexes Onto Ion-Exchange Resins
  作者:Barbaro,Pierluigi; Gonsalvi,Luca; Guerriero,Antonella; Liguori,Francesca
  参考文献:Green Chemistry 日期:2012 卷标:14(11) 页码:3211-3219]
  
  13031-04-4 = 79-50-5
  反应条件:1.1 Reagents: Hydrogen Catalysts: Platinum Solvents: Acetic Acid; 5 Min,273 K1.2 Reagents: Hydrogen Catalysts: Cinchonidine Solvents: Acetic Acid; 5 Min,273 K1.3 1 - 4 H,1 Bar,273 K
  标题:Shape-Selective Enantioselective Hydrogenation On Pt Nanoparticles
  作者:Schmidt,Erik; Vargas,Angelo; Mallat,Tamas; Baiker,Alfons
  参考文献:Journal Of The American Chemical Society 日期:2009 卷标:131(34) 页码:12358-12367]
  
  13031-04-4 = 79-50-5
  反应条件:1.1 Reagents: Hydrogen Catalysts: Ethanaminium,N,N,N-Triethyl-,Decacarbonyl-μ-Hydrodichromate(1-),(-)-Diop Solvents: 1,2-Dimethoxyethane
  标题:Catalyst For Hydrogenation,Dehydrosilylation Or Hydrosilylation,And Its Use
  参考文献:World Intellectual Property Organization]
  
  13031-04-4 = 79-50-5
  反应条件:1.1 Reagents: Hydrogen Catalysts: Platinum (Alumina-Supported Platinum Catalyst),(5S)-2,2,3-Trimethyl-5-(Phenylmethyl)-4-Imidazolidinone Solvents: Toluene; 2 H,1 Bar,298 K
  标题:Chiral Imidazolidinone And Proline-Derived Surface Modifiers For The Pt-Catalyzed Asymmetric Hydrogenation Of Activated Ketones
  作者:Holland,Mareike C.; Meemken,Fabian; Baiker,Alfons; Gilmour,Ryan
  参考文献:Journal Of Molecular Catalysis A: Chemical 日期:2015 卷标:396 页码:335-345]
  
  13031-04-4 = 79-50-5
  反应条件:1.1 Reagents: Hydrogen Catalysts: Platinum Solvents: Toluene; 6 H,100 Psi,25 °C
  标题:Enantioselective Hydrogenation Of α-Ketoesters Over Alkaloid-Modified Platinum Nanowires
  作者:Erathodiyil,Nandanan; Gu,Hongwei; Shao,Huilin; Jiang,Jiang; Ying,Jackie Y.
  参考文献:Green Chemistry 日期:2011 卷标:13(11) 页码:3070-3074]
  
  13031-04-4 = 79-50-5
  反应条件:1.1 Reagents: Hydrogen Catalysts: 1,2-Bis(Diphenylphosphino)Ethane,Rhodium,[(1,2,5,6-η)-1,5-Cyclooctadiene][(αr)-α-Methyl-N-[(1H-Pyrrol-2-Yl-Kn)Me... Solvents: Toluene
  标题:Asymmetric Catalysis. Part 128: Diastereomeric Rhodium(I) Complexes In The Enantioselective Hydrogenation Of Ketopantolactone
  作者:Brunner,Henri; Tracht,Torsten
  参考文献:Tetrahedron: Asymmetry 日期:1998 卷标:9(21) 页码:3773-3780]
  
  13031-04-4 = 79-50-5
  反应条件:1.1 Reagents: Hydrogen Solvents: Benzene
  标题:Asymmetric Reactions Catalyzed By Chiral Metal Complexes. Xv. Effective Catalytic Asymmetric Synthesis Of R-(-)-Pantolactone With Polymer Supported Chiral Pyrrolidinephosphine-Rhodium Complexes
  作者:Achiwa,Kazuo
  参考文献:Heterocycles 日期:1978 卷标:9(11) 页码:1539-43]
  
  13031-04-4 = 79-50-5
  反应条件:1.1 Solvents: Ethanol; 9150 H,Rt -> 100 °C; 12 H,2 Mpa,100 °C
  标题:New Synthesis Process Of α-Hydroxy-β,β-Dimethyl-γ-Butyrolactone
  作者:Kong,Cheng; Feng,Xiaoliang; Xu,Jianzhong; Cui,Wei
  参考文献:Shanghai Huagong 日期:2003 卷标:28(1) 页码:10-11

海关参考信息

• 2905122000-异丙醇
  2905310000-1,2-乙二醇
  2905320000-1,2-丙二醇
  2905399001-1,3-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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• ➥ 象形图和危险代码
• ➥ 防范代码详解
• ➥ 危险代码说明
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• ➥ REACH监管