(2S)-N-[4-benzyloxy-5-methoxy-2-nitrobenzoyl]pyrrolidine-2-carboxaldehyde diethyl dithioacetal | 127810-77-9

分子结构分类

有机化合物 - 苯类化合物 - 苯和取代衍生物

中文名称

——

中文别名

——

英文名称

(2S)-N-[4-benzyloxy-5-methoxy-2-nitrobenzoyl]pyrrolidine-2-carboxaldehyde diethyl dithioacetal

英文别名

(2S)-N-(4-benzyloxy-5-methoxy-2-nitrobenzoyl)pyrrolidine-2-carbaldehyde diethyl dithioacetal；(2S)-N-(4-benzyloxy-5-methoxy-2-nitrobenzoyl)pyrrolidine-2-carboxaldehyde diethyl thioacetal；(2S)-N-(4-benzyloxy-5-methoxy-2-nitrobenzoyl)pyrrolidine-2-carboxaldehyde diethylthioacetal；[(2S)-2-[bis(ethylsulfanyl)methyl]pyrrolidin-1-yl]-(5-methoxy-2-nitro-4-phenylmethoxyphenyl)methanone

(2S)-N-[4-benzyloxy-5-methoxy-2-nitrobenzoyl]pyrrolidine-2-carboxaldehyde diethyl dithioacetal化学式

CAS

127810-77-9

化学式

C₂₄H₃₀N₂O₅S₂

mdl

——

分子量

490.645

InChiKey

RXYMMXJHKHSWAA-IBGZPJMESA-N

BEILSTEIN

——

EINECS

——

物化性质

沸点：

678.3±55.0 °C(Predicted)
密度：

1.256±0.06 g/cm3(Predicted)

计算性质

辛醇/水分配系数(LogP)：

5.4
重原子数：

33
可旋转键数：

10
环数：

3.0
sp3杂化的碳原子比例：

0.46
拓扑面积：

135
氢给体数：

0
氢受体数：

7

上下游信息

上游原料

中文名称	英文名称	CAS号	化学式	分子量
——	(S)-1-(4-(benzyloxy)-5-methoxy-2-nitrobenzoyl)pyrrolidine-2-carbaldehyde	140693-22-7	C₂₀H₂₀N₂O₆	384.389
(2S)-1-(5-甲氧基-2-硝基-4-苯基甲氧基苯甲酰基)吡咯烷-2-羧酸	(2S)-N-(4-benzyloxy-5-methoxy-2-nitrobenzoyl)pyrrolidine-2-carboxylic acid	64154-79-6	C₂₀H₂₀N₂O₇	400.388
——	methyl (2S)-N-[4-benzyloxy-5-methoxy-2-nitrobenzoyl]pyrrolidine-2-carboxylate	140646-99-7	C₂₁H₂₂N₂O₇	414.415
5-甲氧基-2-硝基-4-苯基甲氧基苯甲酰氯	4-benzyloxy-5-methoxy-2-nitrobenzoyl chloride	64154-78-5	C₁₅H₁₂ClNO₅	321.717
2-硝基-4-苄氧基-5-甲氧基苯甲酸	4-(benzyloxy)-5-methoxy-2-nitrobenzoic acid	60547-92-4	C₁₅H₁₃NO₆	303.271

下游产品

中文名称	英文名称	CAS号	化学式	分子量
——	[(S)-2-(Bis-ethylsulfanyl-methyl)-pyrrolidin-1-yl]-[4-(2-hydroxy-ethoxy)-5-methoxy-2-nitro-phenyl]-methanone	625386-95-0	C₁₉H₂₈N₂O₆S₂	444.573
——	(2S)-N-[4-(2-aminoethoxy)-5-methoxy-2-nitrobenzoyl]pyrrolidine-2-carboxaldehyde diethyl thioacetal	175733-04-7	C₁₉H₂₉N₃O₅S₂	443.588
——	(2S)-N-(4-hydroxy-5-methoxy-2-nitrobenzoyl)pyrrolidine-2-carboxaldehyde diethyl thioacetal	140647-02-5	C₁₇H₂₄N₂O₅S₂	400.52
——	(2S)-N-[4-(3-aminopropoxy)-5-methoxy-2-nitrobenzoyl]pyrrolidine-2-carboxaldehyde diethyl thioacetal	745014-30-6	C₂₀H₃₁N₃O₅S₂	457.615
——	[(S)-2-(Bis-ethylsulfanyl-methyl)-pyrrolidin-1-yl]-[4-(3-hydroxy-propoxy)-5-methoxy-2-nitro-phenyl]-methanone	625386-97-2	C₂₀H₃₀N₂O₆S₂	458.6
——	(2S)-N-[4-(3-bromopropoxy)-5-methoxy-2-nitrobenzoyl]pyrrolidine-2-carboxaldehyde diethyl thioacetal	343308-55-4	C₂₀H₂₉BrN₂O₅S₂	521.497
——	(2S)-N-[4-(4-bromobutyl)oxy-5-methoxy-2-nitrobenzoyl]pyrrolidine-2-carboxaldehyde diethylthioacetal	343308-56-5	C₂₁H₃₁BrN₂O₅S₂	535.524
——	(2S)-N-[4-(5-bromopentyloxy)-5-methoxy-2-nitrobenzoyl]pyrrolidine-2-carboxaldehyde diethyl thioacetal	343308-57-6	C₂₂H₃₃BrN₂O₅S₂	549.55
——	(2S)-N-{5-methoxy-4-[3-(carboxy)propyloxy]-2-nitrobenzoyl}pyrrolidine-2-carboxaldehyde diethyl dithioacetal	219931-70-1	C₂₁H₃₀N₂O₇S₂	486.61
——	(2S)-N-{4-[(4'-carboxybutyl)oxy]-5-methoxy-2-nitrobenzoyl}pyrrolidine-2-carboxaldehyde diethyl thioacetal	625457-61-6	C₂₂H₃₂N₂O₇S₂	500.637
——	(2S)-N-[5'-methoxy-4'-[(3''-methoxycarbonylpropyl)oxy]-2'-nitrobenzoyl]pyrrolidine-2-carboxaldehyde diethyl thioacetal	349536-25-0	C₂₂H₃₂N₂O₇S₂	500.637
——	methyl 5-[4-[(2S)-2-[bis(ethylsulfanyl)methyl]pyrrolidine-1-carbonyl]-2-methoxy-5-nitrophenoxy]pentanoate	625457-60-5	C₂₃H₃₄N₂O₇S₂	514.664
——	Methanesulfonic acid 2-{4-[(S)-2-(bis-ethylsulfanyl-methyl)-pyrrolidine-1-carbonyl]-2-methoxy-5-nitro-phenoxy}-ethyl ester	625386-99-4	C₂₀H₃₀N₂O₈S₃	522.665
——	Methanesulfonic acid 3-{4-[(S)-2-(bis-ethylsulfanyl-methyl)-pyrrolidine-1-carbonyl]-2-methoxy-5-nitro-phenoxy}-propyl ester	625387-01-1	C₂₁H₃₂N₂O₈S₃	536.692
——	(2S)-N-[4-(N-t-butoxycarbonyl)aminoethoxy-5-methoxy-2-nitrobenzoyl]pyrrolidine-2-carboxaldehyde diethyl thioacetal	745014-24-8	C₂₄H₃₇N₃O₇S₂	543.706
——	(2S)-N-[4-(N-t-butoxycarbonyl)aminopropoxy-5-methoxy-2-nitrobenzoyl]pyrrolidine-2-carboxaldehyde diethyl thioacetal	745014-29-3	C₂₅H₃₉N₃O₇S₂	557.733
——	(2S)-N-(2-amino-4-benzyloxy-5-methoxybenzoyl)pyrrolidine-2-carbaldehyde diethyl dithioacetal	127810-78-0	C₂₄H₃₂N₂O₃S₂	460.662
——	(2S)-N-{4-[N-(1''-pyrenyl)-butane-4'-carboxamide]-oxy-5-methoxy-2-nitrobenzoyl}pyrrolidine-2-carboxaldehyde diethyl thioacetal	678154-63-7	C₃₈H₄₁N₃O₆S₂	699.892
——	5-{4-[(S)-2-(Bis-ethylsulfanyl-methyl)-pyrrolidine-1-carbonyl]-2-methoxy-5-nitro-phenoxy}-pentanoic acid chrysen-6-ylamide	625457-63-8	C₄₀H₄₃N₃O₆S₂	725.93
——	(2S)-N-{4-[(N-(1''-pyrenyl)propane)-3'-carboxamide]oxy-5-methoxy-2-nitrobenzoyl}pyrrolidine-2-carboxaldehyde diethyl thioacetal	678154-62-6	C₃₇H₃₉N₃O₆S₂	685.865
——	4-{4-[(S)-2-(Bis-ethylsulfanyl-methyl)-pyrrolidine-1-carbonyl]-2-methoxy-5-nitro-phenoxy}-N-chrysen-6-yl-butyramide	625457-62-7	C₃₉H₄₁N₃O₆S₂	711.903
——	2-(5-{4-[(S)-2-(Bis-ethylsulfanyl-methyl)-pyrrolidine-1-carbonyl]-2-methoxy-5-nitro-phenoxy}-pentyl)-benzo[de]isoquinoline-1,3-dione	482378-28-9	C₃₄H₃₉N₃O₇S₂	665.832