79491-14-8 ((1H-Pyrrole-3-propanoic acid, 4-acetyl-5-methyl-, methyl ester)

快速询单

结构式：

1H-Pyrrole-3-propanoic acid, 4-acetyl-5-methyl-, methyl esterMOL文件

CAS号：

79491-14-8

英文名称：

1H-Pyrrole-3-propanoic acid, 4-acetyl-5-methyl-, methyl ester

分子式：

C₁₁H₁₅NO₃

分子量：

209.241703271866

1H-Pyrrole-3-propanoic acid, 4-acetyl-5-methyl-, methyl ester(79491-14-8)名称与标识符

名称

英文别名：

1H-Pyrrole-3-propanoic acid, 4-acetyl-5-methyl-, methyl ester;

标识符

InChIKey：

OYNHMGLAPCAMEN-UHFFFAOYSA-N

Inchi：

1S/C11H15NO3/c1-7-11(8(2)13)9(6-12-7)4-5-10(14)15-3/h6,12H,4-5H2,1-3H3

SMILES：

N1C(C)=C(C(C)=O)C(CCC(OC)=O)=C1

1H-Pyrrole-3-propanoic acid, 4-acetyl-5-methyl-, methyl ester(79491-14-8)合成路线

合成路线：1 步

反应条件：

1.1 300 - 900 °C

参考文献：

Synthesis and pyrolysis of two novel pyrrole ester flavor precursors

Fan, Wenpeng ; et al, Journal of Heterocyclic Chemistry, 2022, 59(8), 1397-1406

合成路线：2 步

反应条件：

1.1 Reagents: 1-Ethyl-3-(3′-dimethylaminopropyl)carbodiimide Solvents: Dichloromethane ; 1 h, rt
1.2 Catalysts: 4-(Dimethylamino)pyridine ; 24 h, rt
2.1 300 - 900 °C

参考文献：

Synthesis and pyrolysis of two novel pyrrole ester flavor precursors

Fan, Wenpeng ; et al, Journal of Heterocyclic Chemistry, 2022, 59(8), 1397-1406

合成路线：3 步

反应条件：

1.1 Reagents: Sodium borohydride Solvents: Methanol ; 20 min, 0 °C
1.2 Reagents: Sodium chloride Solvents: Water ; 2 min
2.1 Reagents: 1-Ethyl-3-(3′-dimethylaminopropyl)carbodiimide Solvents: Dichloromethane ; 1 h, rt
2.2 Catalysts: 4-(Dimethylamino)pyridine ; 24 h, rt
3.1 300 - 900 °C

参考文献：

Synthesis and pyrolysis of two novel pyrrole ester flavor precursors

Fan, Wenpeng ; et al, Journal of Heterocyclic Chemistry, 2022, 59(8), 1397-1406

合成路线：3 步

反应条件：

1.1 300 - 900 °C
2.1 Reagents: 1-Ethyl-3-(3′-dimethylaminopropyl)carbodiimide Solvents: Dichloromethane ; 1 h, rt
2.2 Catalysts: 4-(Dimethylamino)pyridine ; 24 h, rt
3.1 300 - 900 °C

参考文献：

Synthesis and pyrolysis of two novel pyrrole ester flavor precursors

Fan, Wenpeng ; et al, Journal of Heterocyclic Chemistry, 2022, 59(8), 1397-1406

合成路线：4 步

反应条件：

1.1 Reagents: Potassium carbonate Catalysts: Tetrabutylammonium bromide Solvents: Acetonitrile ; 17 h, 65 °C
2.1 Reagents: Sodium borohydride Solvents: Methanol ; 20 min, 0 °C
2.2 Reagents: Sodium chloride Solvents: Water ; 2 min
3.1 Reagents: 1-Ethyl-3-(3′-dimethylaminopropyl)carbodiimide Solvents: Dichloromethane ; 1 h, rt
3.2 Catalysts: 4-(Dimethylamino)pyridine ; 24 h, rt
4.1 300 - 900 °C

参考文献：

Synthesis and pyrolysis of two novel pyrrole ester flavor precursors

Fan, Wenpeng ; et al, Journal of Heterocyclic Chemistry, 2022, 59(8), 1397-1406

合成路线：4 步

反应条件：

1.1 Reagents: 1-Ethyl-3-(3′-dimethylaminopropyl)carbodiimide Solvents: Dichloromethane ; 1 h, rt
1.2 Catalysts: 4-(Dimethylamino)pyridine ; 24 h, rt
2.1 300 - 900 °C
3.1 Reagents: 1-Ethyl-3-(3′-dimethylaminopropyl)carbodiimide Solvents: Dichloromethane ; 1 h, rt
3.2 Catalysts: 4-(Dimethylamino)pyridine ; 24 h, rt
4.1 300 - 900 °C

参考文献：

Synthesis and pyrolysis of two novel pyrrole ester flavor precursors

Fan, Wenpeng ; et al, Journal of Heterocyclic Chemistry, 2022, 59(8), 1397-1406

合成路线：5 步

反应条件：

1.1 Reagents: Sodium periodate Solvents: Water ; 10 min, rt
2.1 Reagents: Potassium carbonate Catalysts: Tetrabutylammonium bromide Solvents: Acetonitrile ; 17 h, 65 °C
3.1 Reagents: Sodium borohydride Solvents: Methanol ; 20 min, 0 °C
3.2 Reagents: Sodium chloride Solvents: Water ; 2 min
4.1 Reagents: 1-Ethyl-3-(3′-dimethylaminopropyl)carbodiimide Solvents: Dichloromethane ; 1 h, rt
4.2 Catalysts: 4-(Dimethylamino)pyridine ; 24 h, rt
5.1 300 - 900 °C

参考文献：

Synthesis and pyrolysis of two novel pyrrole ester flavor precursors

Fan, Wenpeng ; et al, Journal of Heterocyclic Chemistry, 2022, 59(8), 1397-1406

合成路线：6 步

反应条件：

1.1 Reagents: Sodium bicarbonate Solvents: Water ; 24 h, rt
2.1 Reagents: Sodium periodate Solvents: Water ; 10 min, rt
3.1 Reagents: Potassium carbonate Catalysts: Tetrabutylammonium bromide Solvents: Acetonitrile ; 17 h, 65 °C
4.1 Reagents: Sodium borohydride Solvents: Methanol ; 20 min, 0 °C
4.2 Reagents: Sodium chloride Solvents: Water ; 2 min
5.1 Reagents: 1-Ethyl-3-(3′-dimethylaminopropyl)carbodiimide Solvents: Dichloromethane ; 1 h, rt
5.2 Catalysts: 4-(Dimethylamino)pyridine ; 24 h, rt
6.1 300 - 900 °C

参考文献：

Synthesis and pyrolysis of two novel pyrrole ester flavor precursors

Fan, Wenpeng ; et al, Journal of Heterocyclic Chemistry, 2022, 59(8), 1397-1406

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79491-14-8 ((1H-Pyrrole-3-propanoic acid, 4-acetyl-5-methyl-, methyl ester)

1H-Pyrrole-3-propanoic acid, 4-acetyl-5-methyl-, methyl ester(79491-14-8)名称与标识符

名称

标识符

1H-Pyrrole-3-propanoic acid, 4-acetyl-5-methyl-, methyl ester(79491-14-8)合成路线

目录