名称和标识符别名信息物化性质合成路线化合物详情（旧版）相关产品

西替利嗪甲酯 | 88150-46-3

中文名称：西替利嗪甲酯

英文名称： 2-(2-Azidoethoxy)methyl-4-(2-chlorophenyl)-3-ethoxycarbonyl-5-methoxycarbonyl)-6-methyl-1,4-dihydropyridine

CAS No.： 88150-46-3

分子式： C₂₀H₂₃ClN₄O₅

分子量： 434.873423814774

如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击：西替利嗪甲酯结构式

价格行情：西替利嗪甲酯价格

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西替利嗪甲酯的其他展现形式

相关化合物

amlodipine formate

amlodipine formate

CAS No.：246852-08-4
amlodipine chloroacetate

amlodipine chloroacetate

CAS No.：246852-11-9
4-(2-chlorophenyl)-3-ethoxycarbonyl-2-(2-hydroxyethoxymethyl)-5-methoxycarbonyl-6-methyl-1,4-dihydropyridine

CAS No.：101411-52-3
2-(2-azidoethoxy)methyl-5-carboxy-4-(2-chlorophenyl)-3-ethoxycarbonyl-6-methyl-1,4-dihydropyridine

2-(2-azidoethoxy)methyl-5-carboxy-4-(2-chlorophenyl)-3-ethoxycarbonyl-6-methyl-1,4-dihydropyridine

CAS No.：120289-15-8

名称和标识符

InChIKey	ORRUHLWSVNVRGO-UHFFFAOYSA-N
Inchi	1S/C20H23ClN4O5/c1-4-30-20(27)18-15(11-29-10-9-23-25-22)24-12(2)16(19(26)28-3)17(18)13-7-5-6-8-14(13)21/h5-8,17,24H,4,9-11H2,1-3H3
SMILES	[N-]=[N+]=NCCOCC1=C(C(OCC)=O)C(C2C(Cl)=CC=CC=2)C(C(OC)=O)=C(C)N1

别名信息

- 中文别名 -

2-[(2-叠氮基乙氧基)甲基]-4-(2-氯苯基)-3-乙氧基羰基-5-甲氧基羰基)-6-甲基-1,4-二氢吡啶
2-[(2-叠氮乙氧基)甲基]-4-(2-氯苯基)-3-乙氧羰基-5-甲氧羰基)-6-甲基-1,4-二氢吡啶
西替利嗪甲酯

- 英文别名 -

3,5-Pyridinedicarboxylic acid,2-[(2-azidoethoxy)methyl]-4-(2-chlorophenyl)-1,4-dihydro-6-methyl-,3-ethyl 5-methyl ester
2-[(2-Azidoethoxy)methyl]-4-(2-chlorophenyl)-3-ethoxycarbonyl-5-methoxycarbonyl)-6-methyl-1,4-dihydropyridine
2-[(2-Azidoethoxy)methyl]-4-(2-chlorophenyl)-3-ethoxycarbonyl-5-methoxycarbonyl)-6-methyl-1,4-dihydr
3,5-Pyridinedicarboxylic acid,2-[(2-azidoethoxy)methyl]-4-(2-chlorophenyl)-1,4-dihydro-6-methy...
3-O-ethyl 5-O-methyl 2-(2-azidoethoxymethyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate

3-Ethyl 5-methyl 2-[(2-azidoethoxy)methyl]-4-(2-chlorophenyl)-1,4-dihydro-6-methyl-3,5-pyridinedicarboxylate (ACI)
2-(2-Azido-ethoxymethyl)-4-(2-chloro-phenyl)-6-methyl-1,4-dihydro-pyridine-3,5-dicarboxylic acid 3-ethyl ester 5-methyl ester
2-[(2-Azidoethoxy)methyl]-4-(2-chlorophenyl)-3-(ethoxycarbonyl)-5-(methoxycarbonyl)-6-methyl-1,4-dihydropyridine
3-Ethyl 5-methyl 2-((2-azidoethoxy)methyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate

物化性质

实验特性

LogP	3.39946
PSA	123.61000
熔点	143-145°C

计算特性

精确分子量	434.13600

合成路线

合成路线：4 步

141-97-9

89-98-5

88150-46-3

反应条件：

1.1 heated
2.1 Reagents: Sulfuric acid magnesium salt (1:1) ; 40 s, 70 °C
2.2 15 min, 130 °C
3.1 Reagents: Formic acid Catalysts: Palladium Solvents: Methanol ; reflux
4.1 Reagents: Pyridinium tribromide Solvents: Dichloromethane ; 0 °C
4.2 Reagents: Sodium hydride Solvents: Diethyl ether ; 0 °C

参考文献：

Synthesis of 1,4-dihydropyridine using microwave-assisted aza-Diels-Alder reaction and its application to amlodipine

Lee, Youn A.; et al, Journal of Industrial and Engineering Chemistry (Amsterdam, 2011, 17(3), 401-403

合成路线：2 步

105-45-3

89-98-5

88150-46-3

参考文献：

A novel method for Knoevenagel condensation

, Taiwan, , ,

合成路线：1 步

88150-42-9

_95%

88150-46-3

反应条件：

1.1 Reagents: Potassium bicarbonate , Oxygen , Sulfuryl azide fluoride Solvents: Dimethylformamide , tert-Butyl methyl ether , Water ; 5 min, rt
1.2 Reagents: Hydrochloric acid Solvents: Water ; pH 1, rt

参考文献：

Modular click chemistry libraries for functional screens using a diazotizing reagent

Meng, Genyi; et al, Nature (London, 2019, 574(7776), 86-89

合成路线：1 步

88150-45-2

67593-46-8

88150-46-3

反应条件：

1.1 Reagents: Ammonium acetate Solvents: Ethanol
1.2 -

参考文献：

Long-acting dihydropyridine calcium antagonists. 1. 2-Alkoxymethyl derivatives incorporating basic substituents

Arrowsmith, John E.; et al, Journal of Medicinal Chemistry, 1986, 29(9), 1696-702

合成路线：1 步

39562-06-6

1517-05-1

88150-46-3

参考文献：

Synthesis of amlodipine using aza Diels-Alder reaction

Kim, Seok-Chan; et al, Bulletin of the Korean Chemical Society, 2002, 23(1), 143-144

合成路线：1 步

905818-05-5

67593-46-8

88150-46-3

参考文献：

A novel method for Knoevenagel condensation

, Taiwan, , ,

合成路线：2 步

88150-45-2

88150-46-3

参考文献：

A novel method for Knoevenagel condensation

, Taiwan, , ,

合成路线：2 步

1517-05-1

638-07-3

88150-46-3

反应条件：

1.1 Reagents: Sodium hydride Solvents: Tetrahydrofuran
1.2 -
2.1 Reagents: Ammonium acetate Solvents: Ethanol
2.2 -

参考文献：

Long-acting dihydropyridine calcium antagonists. 1. 2-Alkoxymethyl derivatives incorporating basic substituents

Arrowsmith, John E.; et al, Journal of Medicinal Chemistry, 1986, 29(9), 1696-702

合成路线：2 步

423771-19-1

88150-46-3

反应条件：

1.1 Reagents: Formic acid Catalysts: Palladium Solvents: Methanol ; reflux
2.1 Reagents: Pyridinium tribromide Solvents: Dichloromethane ; 0 °C
2.2 Reagents: Sodium hydride Solvents: Diethyl ether ; 0 °C

参考文献：

Synthesis of 1,4-dihydropyridine using microwave-assisted aza-Diels-Alder reaction and its application to amlodipine

Lee, Youn A.; et al, Journal of Industrial and Engineering Chemistry (Amsterdam, 2011, 17(3), 401-403

合成路线：3 步

24405-35-4

23326-27-4

100-46-9

88150-46-3

反应条件：

1.1 Reagents: Sulfuric acid magnesium salt (1:1) Solvents: Toluene
2.1 Reagents: Formic acid Catalysts: Palladium Solvents: Methanol
3.1 -
3.2 -

参考文献：

Synthesis of amlodipine using aza Diels-Alder reaction

Kim, Seok-Chan; et al, Bulletin of the Korean Chemical Society, 2002, 23(1), 143-144

合成路线：3 步

15725-22-1

100-46-9

23326-27-4

88150-46-3

反应条件：

1.1 Reagents: Sulfuric acid magnesium salt (1:1) ; 40 s, 70 °C
1.2 15 min, 130 °C
2.1 Reagents: Formic acid Catalysts: Palladium Solvents: Methanol ; reflux
3.1 Reagents: Pyridinium tribromide Solvents: Dichloromethane ; 0 °C
3.2 Reagents: Sodium hydride Solvents: Diethyl ether ; 0 °C

参考文献：

Synthesis of 1,4-dihydropyridine using microwave-assisted aza-Diels-Alder reaction and its application to amlodipine

Lee, Youn A.; et al, Journal of Industrial and Engineering Chemistry (Amsterdam, 2011, 17(3), 401-403

合成路线：3 步

1517-05-1

638-07-3

88150-46-3

参考文献：

A novel method for Knoevenagel condensation

, Taiwan, , ,

合成路线：1 步

39562-06-6

1517-05-1

_66%

88150-46-3

反应条件：

1.1 Reagents: Pyridinium tribromide Solvents: Dichloromethane ; 0 °C
1.2 Reagents: Sodium hydride Solvents: Diethyl ether ; 0 °C

参考文献：

Synthesis of 1,4-dihydropyridine using microwave-assisted aza-Diels-Alder reaction and its application to amlodipine

Lee, Youn A.; et al, Journal of Industrial and Engineering Chemistry (Amsterdam, 2011, 17(3), 401-403

合成路线：2 步

423771-19-1

88150-46-3

反应条件：

1.1 Reagents: Formic acid Catalysts: Palladium Solvents: Methanol
2.1 -
2.2 -

参考文献：

Synthesis of amlodipine using aza Diels-Alder reaction

Kim, Seok-Chan; et al, Bulletin of the Korean Chemical Society, 2002, 23(1), 143-144

化合物详情（旧版）

SMILES

[N-]=[N+]=NCCOCC1=C(C(=O)OCC)C(C2C(Cl)=CC=CC=2)C(C(=O)OC)=C(C)N1

西替利嗪甲酯 | 88150-46-3

合成路线：4 步

合成路线：2 步

合成路线：1 步

合成路线：1 步

合成路线：1 步

合成路线：1 步

合成路线：2 步

合成路线：2 步

合成路线：2 步

合成路线：3 步

合成路线：3 步

合成路线：3 步

合成路线：1 步

合成路线：2 步

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