(R)-(-)-Dihydro-3-Hydroxy-4,4-Dimethyl-2(3H)-Furanone (R)-3-羟基-4,4-二甲基-二氢-2(3H)-呋喃酮

CAS 599-04-2 MFCD00005392

化学结构图

599-04-2
SMILES: CC1(C)COC(=O)[C@@H]1O

化学属性

Mol. FormulaC6H10O3
Mol. Weight130.14
Boiling Point224.6°C at 760 mmHg
Melting Point92°C
TSCAYes
Density1.422
Stability对湿度敏感
Flash Point99°C
Appearance 吸湿性结晶（苯、石油醚，或升华得到）。熔点 80（92℃ ），沸点 130℃ 、2.4kPa，易溶于水，溶于乙醇；乙醚；氯仿；二硫化碳；苯。R型熔点 92℃，[α]-50.7°（C=2.05，H2O），S型熔点 91℃，[α]+50°（C=2.00，H2O）。
Refractive index-50.8 ° (C=2, H2O)

别名和识别编码

Chemical Name(R)-(-)-Dihydro-3-Hydroxy-4,4-Dimethyl-2(3H)-Furanone
Synonym Pantolactone {LY} Pantolactone {} {LY} Pantolactone {} {} {LY} Pantolactone {} {} {} {LY} Pantolactone {} {} {} {} {LY} Pantolactone {} {} {} {} {} {LY} Pantolactone {} {} {} {} {} {} {LY} Pantolactone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Pantolactone {} {} {} {} {} {} {} {} {LY} Pantolactone {} {} {} {} {} {} {} {} {} {LY} Pantolactone {} {} {} {} {} {} {} {} {} {} {LY} Pantolactone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Pantolactone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {LY} Pantolactone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Pantolactone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Pantolactone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Pantolactone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
MDL NumberMFCD00005392
PubChem Substance ID439368
Beilstein Registry Number3588195
CAS Number599-04-2
EC Number209-963-3
Reaxys-RN3588195
Merck Number7013
Chemical Name Translation(R)-3-羟基-4,4-二甲基-二氢-2(3H)-呋喃酮
LabNetwork Molecule IDLN00196261
InChIInChI=1S/C6H10O3/c1-6(2)3-9-5(8)4(6)7/h4,7H,3H2,1-2H3/t4-/m0/s1
Canonical SMILESO=C1OCC(C)(C)[C@H]1O
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分类

  • Asymmetric Synthesis, Chemical Synthesis, Chiral Building Blocks, Lactones, Organic Building Blocks
  • {SNA} Asymmetric Synthesis, Chemical Synthesis, Chiral Building Blocks, Lactones, Organic Building Blocks

相关文献及参考

  • Chiral auxiliary for enantioselective Diels-Alder reactions. Esters with acrylic acids react with dienes to give adducts with exo-endo selectivity and high ee: Tetrahedron Lett., 26, 3095 (1985); 30, 5599 (1989); Tetrahedron: Asymmetry, 1, 537 (1990). Preferred chiral auxiliary for kinetic resolution of ɑ-amino esters: Tetrahedron Lett., 34, 4473 (1993); J. Org. Chem., 64, 7700 (1999).
  • Chiral auxiliary for enantioselective Diels-Alder reactions. Esters with acrylic acids react with dienes to give adducts with exo-endo selectivity and high ee: Tetrahedron Lett., 26, 3095 (1985); 30, 5599 (1989); Tetrahedron: Asymmetry, 1, 537 (1990). Preferred chiral auxiliary for kinetic resolution of ɑ-amino esters: Tetrahedron Lett., 34, 4473 (1993); J. Org. Chem., 64, 7700 (1999).

安全信息

WGK Germany1
Personal Protective Equipment Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
Storage condition 2-8°C {LY} 2-8°C Hygroscopic {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
Safety Statements
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
  • S22 Do not breathe dust 不要吸入粉尘；
Signal word Warning
GHS Symbol
Risk Statements
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
Precautionary statements

其他信息

  • 方法一:用异丁醛与甲醛缩合，生成α,α-二甲基-β-羟基丙醛，后者与氢氰酸在氯化钙参与下进一步缩合并水解、酸化、内酯化制得该品。
  • 用途二:混旋泛酸钙的中间体。
  • F:3-10
  • Alfa Aesar:D-(-)-泛酰内酯,99% D-(-)-Pantolactone, 99%(599-04-2)
  • 上游原料:甲醇 --> 硫酸 --> 甲醛 --> 氰化钠 --> 异丁醛 --> 氢氰酸
  • Acros Organics:D(-)-泛酰内酯/左脂 D(-)-Pantolactone, 99%(599-04-2)
  • 用途一:用作医药中间体
  • TCI Shanghai:(R)-3-羟基-4,4-二甲基-二氢-2(3H)-呋喃酮 D-(-)-Pantolactone,>;98.0%(T)(599-04-2)
  • 敏感性:Hygroscopic
  • 图谱信息:二氢-3-羟基-4,4-二甲基-2(3H)呋喃酮 (599-04-2)核磁图( 1 HNMR) 二氢-3-羟基-4,4-二甲基-2(3H)呋喃酮 (599-04-2)红外图谱(IR2) 二氢-3-羟基-4,4-二甲基-2(3H)呋喃酮 (599-04-2)核磁图( 13 CNMR) 二氢-3-羟基-4,4-二甲基-2(3H)呋喃酮 (599-04-2)质谱(MS) 二氢-3-羟基-4,4-二甲基-2(3H)呋喃酮 (599-04-2)红外图谱(IR3) 二氢-3-羟基-4,4-二甲基-2(3H)呋喃酮 (599-04-2)红外图谱(IR1)
  • Sigma Aldrich:599-04-2(sigmaaldrich)
  • MOL 文件:599-04-2.mol

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Esters - Carbonyl Compounds
  1. Chemical Synthesis 化学合成
  2. Asymmetric Synthesis 不对称合成
  3. Chiral Building Blocks 手性分子砌块
  4. Organic Building Blocks - Chiral Building Blocks
  5. Lactones - Organic Building Blocks
  1. Chemical Synthesis 化学合成
  2. Asymmetric Synthesis 不对称合成
  3. Chiral Building Blocks 手性分子砌块
  4. Organic Building Blocks - Chiral Building Blocks
  5. Lactones - Organic Building Blocks
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Lactams 内酰胺
  1. Medical Research Areas
  2. Metabolism
  3. Endogenous Metabolite  (内源性代谢物)

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