1-(1,1-Dimethylethyl) 4-[4-[4-[(2S)-2-carboxy-2-[[(phenylmethoxy)carbonyl]amino]ethyl]phenoxy]butyl]-1-piperidinecarboxylate | 142355-84-8

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

1-(1,1-Dimethylethyl) 4-[4-[4-[(2S)-2-carboxy-2-[[(phenylmethoxy)carbonyl]amino]ethyl]phenoxy]butyl]-1-piperidinecarboxylate

英文别名

(2S)-3-[4-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]butoxy]phenyl]-2-(phenylmethoxycarbonylamino)propanoic acid

1-(1,1-Dimethylethyl) 4-[4-[4-[(2S)-2-carboxy-2-[[(phenylmethoxy)carbonyl]amino]ethyl]phenoxy]butyl]-1-piperidinecarboxylate化学式

CAS

142355-84-8

化学式

C₃₁H₄₂N₂O₇

mdl

——

分子量

554.684

InChiKey

PSKNOZCWXXYGHC-MHZLTWQESA-N

BEILSTEIN

——

EINECS

——

物化性质

沸点：

703.9±60.0 °C(Predicted)
密度：

1.170±0.06 g/cm3(Predicted)

计算性质

辛醇/水分配系数(LogP)：

5.9
重原子数：

40
可旋转键数：

15
环数：

3.0
sp3杂化的碳原子比例：

0.52
拓扑面积：

114
氢给体数：

2
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
N-苄氧羰基-L-酪氨酸	Cbz-Tyr-OH	1164-16-5	C₁₇H₁₇NO₅	315.326

下游产品

中文名称	英文名称	CAS号	化学式	分子量
——	tert-butyl 4-[4-[4-[(2S)-3-methoxy-3-oxo-2-(phenylmethoxycarbonylamino)propyl]phenoxy]butyl]piperidine-1-carboxylate	142373-56-6	C₃₂H₄₄N₂O₇	568.711
——	2-(S)-<<(benzyloxy)carbonyl>amino>-3-<4-<<(piperidin-4-yl)butyl>oxy>phenyl>propionic acid	——	C₂₆H₃₄N₂O₅	454.566
——	2-(S)--N-methylamino>-3-<4-<<(piperidin-4-yl)butyl>oxy>phenyl>propionic acid hydrochloride	——	C₂₇H₃₆N₂O₅	468.593
——	(2S)-2-acetamido-3-[4-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]butoxy]phenyl]propanoic acid	1026353-54-7	C₂₅H₃₈N₂O₆	462.587
——	(2S)-3-[4-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]butoxy]phenyl]-2-(propanoylamino)propanoic acid	1026809-98-2	C₂₆H₄₀N₂O₆	476.613
——	(2S)-3-[4-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]butoxy]phenyl]-2-(pentanoylamino)propanoic acid	142356-29-4	C₂₈H₄₄N₂O₆	504.667
——	(2S)-2-(hexanoylamino)-3-[4-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]butoxy]phenyl]propanoic acid	142356-31-8	C₂₉H₄₆N₂O₆	518.694
——	(2S)-3-[4-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]butoxy]phenyl]-2-(3-phenylpropanoylamino)propanoic acid	1025903-55-2	C₃₂H₄₄N₂O₆	552.711
——	(2S)-2-amino-3-[4-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]butoxy]phenyl]propanoic acid	142356-28-3	C₂₃H₃₆N₂O₅	420.549
替罗非班中间体	4-{4-[4-((S)-2-Amino-2-methoxycarbonyl-ethyl)-phenoxy]-butyl}-piperidine-1-carboxylic acid tert-butyl ester	142373-57-7	C₂₄H₃₈N₂O₅	434.576
——	(2S)-2-(methanesulfonamido)-3-[4-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]butoxy]phenyl]propanoic acid	155727-70-1	C₂₄H₃₈N₂O₇S	498.641
——	(2S)-3-[4-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]butoxy]phenyl]-2-(propylsulfonylamino)propanoic acid	1026652-05-0	C₂₆H₄₂N₂O₇S	526.695
——	(2S)-2-(butylsulfonylamino)-3-[4-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]butoxy]phenyl]propanoic acid	142373-59-9	C₂₇H₄₄N₂O₇S	540.722
——	2-(S)-(acetylamino)-3-<4-<<(piperidin-4-yl)butyl>oxy>phenyl>propionic acid	——	C₂₀H₃₀N₂O₄	362.469
——	(2S)-3-[4-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]butoxy]phenyl]-2-(2-phenylethylsulfonylamino)propanoic acid	142373-67-9	C₃₁H₄₄N₂O₇S	588.766
——	tert-butyl 4-[4-[4-[(2S)-3-methoxy-3-oxo-2-(propylsulfonylamino)propyl]phenoxy]butyl]piperidine-1-carboxylate	1026532-00-2	C₂₇H₄₄N₂O₇S	540.722
——	2-(S)-(hexanoylamino)-3-<4-<<(piperidin-4-yl)butyl>oxy>phenyl>propionic acid	——	C₂₄H₃₈N₂O₄	418.577
——	(2S)-2-(benzylsulfonylamino)-3-[4-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]butoxy]phenyl]propanoic acid	142373-62-4	C₃₀H₄₂N₂O₇S	574.739
——	(2S)-2-(benzenesulfonamido)-3-[4-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]butoxy]phenyl]propanoic acid	142373-70-4	C₂₉H₄₀N₂O₇S	560.712
——	tert-butyl 4-[4-[4-[(2S)-2-(benzenesulfonamido)-3-methoxy-3-oxopropyl]phenoxy]butyl]piperidine-1-carboxylate	142373-69-1	C₃₀H₄₂N₂O₇S	574.739
——	tert-butyl 4-[4-[4-[(2S)-2-(benzylsulfonylamino)-3-methoxy-3-oxopropyl]phenoxy]butyl]piperidine-1-carboxylate	142373-61-3	C₃₁H₄₄N₂O₇S	588.766
——	(2S)-3-[4-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]butoxy]phenyl]-2-(thiophen-2-ylsulfonylamino)propanoic acid	142373-73-7	C₂₇H₃₈N₂O₇S₂	566.74
——	4-(4-{4-[(S)-2-Methoxycarbonyl-2-(thiophene-2-sulfonylamino)-ethyl]-phenoxy}-butyl)-piperidine-1-carboxylic acid tert-butyl ester	142373-72-6	C₂₈H₄₀N₂O₇S₂	580.767

反应信息

作为反应物：

描述：

1-(1,1-Dimethylethyl) 4-[4-[4-[(2S)-2-carboxy-2-[[(phenylmethoxy)carbonyl]amino]ethyl]phenoxy]butyl]-1-piperidinecarboxylate 在 palladium on activated charcoal 盐酸、 sodium hydroxide 、氢气、 sodium carbonate 作用下，以乙醇、水、乙酸乙酯为溶剂，反应 15.5h，生成盐酸替罗非班

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