79516-59-9 ((S)-3-羟基戊酸,(3S)-3-hydroxypentanoic acid)

快速询单

结构式：

(S)-3-羟基戊酸MOL文件

CAS号：

79516-59-9

中文名称：

(S)-3-羟基戊酸

英文名称：

(3S)-3-hydroxypentanoic acid

分子式：

C₅H₁₀O₃

分子量：

118.131102085114

(S)-3-羟基戊酸(79516-59-9)名称与标识符

名称

中文别名：

(S)-3-羟基戊酸;

英文别名：

Pentanoic acid, 3-hydroxy-, (S)-;(S)-3-Hydroxypentanoic acid;(S)-3-Hydroxyvaleric acid;(3S)-3-hydroxypentanoic acid;(3S)-3-Hydroxypentanoic acid (ACI);Pentanoic acid, 3-hydroxy-, (S)- (9CI);

标识符

InChIKey：

REKYPYSUBKSCAT-BYPYZUCNSA-N

Inchi：

1S/C5H10O3/c1-2-4(6)3-5(7)8/h4,6H,2-3H2,1H3,(H,7,8)/t4-/m0/s1

SMILES：

[C@H](O)(CC)CC(=O)O

(S)-3-羟基戊酸(79516-59-9)物化性质

实验特性

沸点 : 253.3±23.0 ºC (760 Torr),
闪点 : 121.2±19.1 ºC,
溶解度 : 易溶 (230 g/L) (25 ºC),
密度 : 1.140±0.06 g/cm3 (20 ºC 760 Torr),

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(S)-3-羟基戊酸(79516-59-9)合成路线

合成路线：1 步

42558-50-9

_100%

79516-59-9

反应条件：

1.1 Reagents: Potassium hydroxide

参考文献：

1,2-Bis(2,5-diethylphospholano)benzene

Burk, Mark J., e-EROS Encyclopedia of Reagents for Organic Synthesis, 2001, 1, 1-2

合成路线：1 步

30414-53-0

_97%

79516-59-9

反应条件：

1.1 Reagents: Hydrogen Catalysts: Bis(η6-benzene)di-μ-chlorodichlorodiruthenium , (-)-BINAP Solvents: Methanol ; 6 h, 100 °C
1.2 Reagents: Potassium hydroxide Solvents: Ethanol , Water ; rt

参考文献：

(2R,2'R,5R,5'R)-1,1'-(1,2-ethanediyl)bis-[2,5-dimethylphospholane]; (2R,2'R,5R,5'R)-1,1'-(1,2-ethanediyl)bis[2,5-diethylphospholane]; (2S,2'S,5S,5'S)-1,1'-(1,2-ethanediyl)bis[2,5-di(2-propyl)phospholane] and (2S,2'S,5S,5'S)-1,1'-(1,2-ethanediyl) bis[2,5-dimethylphospholane]; (2S,2'S,5S,5'S)-1,1'-(1,2-ethanediyl)bis[2,5-diethylphospholane]; (2R,2'R,5R,5'R)-1, 1'-(1,2-ethanediyl)bis[2,5-di(2-propyl)-phospholane]

Hutchinson, Douglas K., e-EROS Encyclopedia of Reagents for Organic Synthesis, 2014, 1, 1-5

合成路线：1 步

42558-50-9

_51%

79516-59-9

反应条件：

1.1 Reagents: Sodium hydroxide Solvents: Water ; overnight, 80 °C
1.2 pH 9
1.3 Reagents: Hydrochloric acid Solvents: Water ; pH 1

参考文献：

General chemoenzymatic route to two-stereocenter triketides employing assembly line ketoreductases

Zhang, Zhicheng; Cepeda, Alexis J.; Robles, Mireya L.; Hirsch, Melissa; Kumru, Kaan; et al, Chemical Communications (Cambridge, 2020, 56(1), 157-160

合成路线：1 步

30414-53-0

79516-59-9

反应条件：

1.1 Reagents: Hydrogen Catalysts: Ruthenium(2+), [(1S)-[1,1′-binaphthalene]-2,2′-diylbis[diphenylphosphine-κP]]-, …
1.2 Catalysts: Potassium hydroxide

参考文献：

1,2-Bis(2,5-diethylphospholano)benzene

Burk, Mark J., e-EROS Encyclopedia of Reagents for Organic Synthesis, 2001, ,

合成路线：1 步

97189-64-5

79516-59-9

反应条件：

1.1 Reagents: Potassium hydroxide Solvents: Ethanol , Water

参考文献：

Preparative bioorganic chemistry. 6. Biochemical preparations of both the enantiomers of methyl 3-hydroxypentanoate and their conversion to the enantiomers of 4-hexanolide, the pheromone of Trogoderma glabrum

Mori, Kenji; Mori, Hideto; Sugai, Takeshi, Tetrahedron, 1985, 41(5), 919-25