5-[2-((S)-2-benzyloxycarbonyl-pyrrolidin-1-yl)-2-oxoethoxy]-1-phenyl-1H-pyrazole-3-carboxylic acid ethyl ester | 1163792-08-2

分子结构分类

有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物

中文名称

——

中文别名

——

英文名称

5-[2-((S)-2-benzyloxycarbonyl-pyrrolidin-1-yl)-2-oxoethoxy]-1-phenyl-1H-pyrazole-3-carboxylic acid ethyl ester

英文别名

5-[2-((S)-2-benzyloxycarbonyl-pyrrolidin-1-yl)-2-oxo-ethoxy]-1-phenyl-1H-pyrazole-3-carboxylic acid ethyl ester；5-[2-((S)-2-Benzyloxycarbonyl-pyrrolidin-1-yl)-2-oxo-ethoxy]-1-phenyl-1H-pyrazole-3-carboxylic acid ethyl ester；ethyl 5-[2-oxo-2-[(2S)-2-phenylmethoxycarbonylpyrrolidin-1-yl]ethoxy]-1-phenylpyrazole-3-carboxylate

5-[2-((S)-2-benzyloxycarbonyl-pyrrolidin-1-yl)-2-oxoethoxy]-1-phenyl-1H-pyrazole-3-carboxylic acid ethyl ester化学式

CAS

1163792-08-2

化学式

C₂₆H₂₇N₃O₆

mdl

——

分子量

477.517

InChiKey

CWRAMFJPGULDSG-QFIPXVFZSA-N

BEILSTEIN

——

EINECS

——

计算性质

辛醇/水分配系数(LogP)：

4.2
重原子数：

35
可旋转键数：

11
环数：

4.0
sp3杂化的碳原子比例：

0.31
拓扑面积：

100
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
——	5-benzyloxycarbonylmethoxy-1-phenyl-1H-pyrazole-3-carboxylic acid ethyl ester	1163792-06-0	C₂₁H₂₀N₂O₅	380.4
——	5-carboxymethoxy-1-phenyl-1H-pyrazole-3-carboxylic acid ethyl ester	1163792-07-1	C₁₄H₁₄N₂O₅	290.276

下游产品

中文名称	英文名称	CAS号	化学式	分子量
——	5-[2-((S)-2-carboxy-pyrrolidin-1-yl)-2-oxoethoxy]-1-phenyl-1H-pyrazole-3-carboxylic acid ethyl ester	1163792-09-3	C₁₉H₂₁N₃O₆	387.392
——	5-[2-((S)-2-cyclobutylcarbamoyl-pyrrolidin-1-yl)-2-oxoethoxy]-1-phenyl-1H-pyrazole-3-carboxylic acid ethyl ester	1163792-10-6	C₂₃H₂₈N₄O₅	440.499
——	5-[2-((S)-2-cyclobutylcarbamoyl-pyrrolidin-1-yl)-2-oxoethoxy]-1-phenyl-1H-pyrazole-3-carboxylic acid	1163792-11-7	C₂₁H₂₄N₄O₅	412.445
——	(S)-2-({5-[2-((S)-2-cyclobutylcarbamoyl-pyrrolidin-1-yl)-2-oxoethoxy]-1-phenyl-1H-pyrazole-3-carbonyl}amino)pentanedioic acid 5-tert-butyl ester 1-methyl ester	1163792-41-3	C₃₁H₄₁N₅O₈	611.695
——	(S)-2-({5-[2-((S)-2-cyclobutylcarbamoyl-pyrrolidin-1-yl)-2-oxoethoxy]-1-phenyl-1H-pyrazole-3-carbonyl}amino)pentanedioic acid 5-tert-butyl ester	1163792-42-4	C₃₀H₃₉N₅O₈	597.668
——	4-[(S)-4-carboxy-2-({5-[2-((S)-2-cyclobutylcarbamoyl-pyrrolidin-1-yl)-2-oxo-ethoxy]-1-phenyl-1H-pyrazole-3-carbonyl}-amino)-butyryl]-piperazine-1-carboxylic acid benzyl ester	1163793-40-5	C₃₈H₄₅N₇O₉	743.817
——	(S)-5-(4-benzoyl-piperazin-1-yl)-4-({5-[2-((S)-2-cyclobutylcarbamoyl-pyrrolidin-1-yl)-2-oxo-ethoxy]-1-phenyl-1H-pyrazole-3-carbonyl}-amino)-5-oxo-pentanoic acid	1163792-43-5	C₃₇H₄₃N₇O₈	713.791
——	4-[(S)-4-Carboxy-2-({5-[2-((S)-2-cyclobutylcarbamoyl-pyrrolidin-1-yl)-2-oxo-ethoxy]-1-phenyl-1H-pyrazole-3-carbonyl}-amino)-butyryl]-piperazine-1-carboxylic acid propyl ester	1163793-43-8	C₃₄H₄₅N₇O₉	695.773
——	4-[(S)-4-carboxy-2-({5-[2-((S)-2-cyclobutylcarbamoyl-pyrrolidin-1-yl)-2-oxo-ethoxy]-1-phenyl-1H-pyrazole-3-carbonyl}-amino)-butyryl]-piperazine-1-carboxylic acid butyl ester	1163792-78-6	C₃₅H₄₇N₇O₉	709.8
——	(R)-4-[(S)-4-carboxy-2-({5-[2-((S)-2-cyclobutylcarbamoyl-pyrrolidin-1-yl)-2-oxo-ethoxy]-1-phenyl-1H-pyrazole-3-carbonyl}-amino)-butyryl]-3-methyl-piperazine-1-carboxylic acid ethyl ester	1163793-24-5	C₃₄H₄₅N₇O₉	695.773
——	(S)-4-[(S)-4-carboxy-2-({5-[2-((S)-2-cyclobutylcarbamoyl-pyrrolidin-1-yl)-2-oxo-ethoxy]-1-phenyl-1H-pyrazole-3-carbonyl}-amino)-butyryl]-3-methyl-piperazine-1-carboxylic acid ethyl ester	1163793-30-3	C₃₄H₄₅N₇O₉	695.773
——	(R)-4-[(S)-4-carboxy-2-({5-[2-((S)-2-cyclobutylcarbamoyl-pyrrolidin-1-yl)-2-oxo-ethoxy]-1-phenyl-1H-pyrazole-3-carbonyl}-amino)-butyryl]-2-methyl-piperazine-1-carboxylic acid ethyl ester	1163793-07-4	C₃₄H₄₅N₇O₉	695.773
——	(S)-4-[(S)-4-carboxy-2-({5-[2-((S)-2-cyclobutylcarbamoyl-pyrrolidin-1-yl)-2-oxo-ethoxy]-1-phenyl-1H-pyrazole-3-carbonyl}-amino)-butyryl]-2-methyl-piperazine-1-carboxylic acid ethyl ester	1163793-19-8	C₃₄H₄₅N₇O₉	695.773
——	4-[(S)-4-Carboxy-2-({5-[2-((S)-2-cyclobutylcarbamoyl-pyrrolidin-1-yl)-2-oxo-ethoxy]-1-phenyl-1H-pyrazole-3-carbonyl}-amino)-butyryl]-piperazine-1-carboxylic acid cyclobutyl ester	1163793-49-4	C₃₅H₄₅N₇O₉	707.784
——	3-[(S)-4-carboxy-2-({5-[2-((S)-2-cyclobutylcarbamoyl-pyrrolidin-1-yl)-2-oxo-ethoxy]-1-phenyl-1H-pyrazole-3-carbonyl}-amino)-butyrylamino]-pyrrolidine-1-carboxylic acid butyl ester	1163792-46-8	C₃₅H₄₇N₇O₉	709.8
——	4-[(S)-4-carboxy-2-({5-[2-((S)-2-cyclobutylcarbamoyl-pyrrolidin-1-yl)-2-oxo-ethoxy]-1-phenyl-1H-pyrazole-3-carbonyl}-amino)-butyrylamino]-piperidine-1-carboxylic acid ethyl ester	1163792-44-6	C₃₄H₄₅N₇O₉	695.773
——	4-[(S)-4-carboxy-2-({5-[2-((S)-2-cyclobutylcarbamoyl-pyrrolidin-1-yl)-2-oxo-ethoxy]-1-phenyl-1H-pyrazole-3-carbonyl}-amino)-butyryl]-piperazine-1-carboxylic acid phenyl ester	1163793-36-9	C₃₇H₄₃N₇O₉	729.79
——	(4S)-5-[4-(butoxycarbonylamino)piperidin-1-yl]-4-[[5-[2-[(2S)-2-(cyclobutylcarbamoyl)pyrrolidin-1-yl]-2-oxoethoxy]-1-phenylpyrazole-3-carbonyl]amino]-5-oxopentanoic acid	1163792-35-5	C₃₆H₄₉N₇O₉	723.827
——	(S)-5-(3-butoxycarbonylamino-pyrrolidin-1-yl)-4-({5-[2-((S)-2-cyclobutylcarbamoyl-pyrrolidin-1-yl)-2-oxo-ethoxy]-1-phenyl-1H-pyrazole-3-carbonyl}-amino)-5-oxo-pentanoic acid	1163792-49-1	C₃₅H₄₇N₇O₉	709.8
——	(S)-5-(4-benzoyl-piperidin-1-yl)-4-({5-[2-((S)-2-cyclobutylcarbamoyl-pyrrolidin-1-yl)-2-oxo-ethoxy]-1-phenyl-1H-pyrazole-3-carbonyl}-amino)-5-oxo-pentanoic acid	1163792-45-7	C₃₈H₄₄N₆O₈	712.803
——	(4S)-4-[[5-[2-[(2S)-2-(cyclobutylcarbamoyl)pyrrolidin-1-yl]-2-oxoethoxy]-1-phenylpyrazole-3-carbonyl]amino]-5-[4-(3-methoxyphenyl)piperazin-1-yl]-5-oxopentanoic acid	1163792-33-3	C₃₇H₄₅N₇O₈	715.806

反应信息

作为反应物：

描述：

5-[2-((S)-2-benzyloxycarbonyl-pyrrolidin-1-yl)-2-oxoethoxy]-1-phenyl-1H-pyrazole-3-carboxylic acid ethyl ester 在 palladium 10% on activated carbon 、水、氢气、 1-羟基苯并三唑、 1,2-二氯乙烷、 N,N-二异丙基乙胺、 Methanaminium,N-[(dimethylamino)(3H-1,2,3-triazolo[4,5-b]pyridin-3-yloxy)methylene]-N-methyl-, hexafluorophosphate(1-) 、 sodium hydroxide 、 lithium hydroxide 作用下，以四氢呋喃、水、乙酸乙酯、 N,N-二甲基甲酰胺为溶剂， 20.0 ℃ 、300.01 kPa 条件下，反应 36.67h，生成 (S)-2-({5-[2-((S)-2-cyclobutylcarbamoyl-pyrrolidin-1-yl)-2-oxoethoxy]-1-phenyl-1H-pyrazole-3-carbonyl}amino)pentanedioic acid 5-tert-butyl ester

参考文献：