tert-butyl (2S)-4-[(1R)-2-acetyloxy-1-(7-methyl-6-methylsulfonyloxy-1,3-benzodioxol-4-yl)ethyl]-2-[(2-iodo-4-methoxy-5-methyl-3-phenylmethoxyphenyl)methyl]-5-methyl-3,6-dioxopiperazine-1-carboxylate | 442663-50-5

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

tert-butyl (2S)-4-[(1R)-2-acetyloxy-1-(7-methyl-6-methylsulfonyloxy-1,3-benzodioxol-4-yl)ethyl]-2-[(2-iodo-4-methoxy-5-methyl-3-phenylmethoxyphenyl)methyl]-5-methyl-3,6-dioxopiperazine-1-carboxylate

英文别名

——

tert-butyl (2S)-4-[(1R)-2-acetyloxy-1-(7-methyl-6-methylsulfonyloxy-1,3-benzodioxol-4-yl)ethyl]-2-[(2-iodo-4-methoxy-5-methyl-3-phenylmethoxyphenyl)methyl]-5-methyl-3,6-dioxopiperazine-1-carboxylate化学式

CAS

442663-50-5

化学式

C₃₉H₄₅IN₂O₁₃S

mdl

——

分子量

908.762

InChiKey

CBAWVZDXVTWNLI-MCFYZFDISA-N

BEILSTEIN

——

EINECS

——

物化性质

沸点：

954.0±65.0 °C(Predicted)
密度：

1.468±0.06 g/cm3(Predicted)

计算性质

辛醇/水分配系数(LogP)：

6.2
重原子数：

56
可旋转键数：

15
环数：

5.0
sp3杂化的碳原子比例：

0.44
拓扑面积：

182
氢给体数：

0
氢受体数：

13

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
——	(2R)-2-((3S)-3-(3-(benzyloxy)-2-iodo-4-methoxy-5-methylbenzyl)-6-methyl-2,5-dioxopiperazin-1-yl)-2-(7-methyl-6-((methylsulfonyl)oxy)benzo[d][1,3]dioxol-4-yl)ethyl acetate	442663-49-2	C₃₄H₃₇IN₂O₁₁S	808.645
——	Acetic acid (R)-2-{[(S)-3-(3-benzyloxy-2-iodo-4-methoxy-5-methyl-phenyl)-2-tert-butoxycarbonylamino-propionyl]-[1-(4-methoxy-phenylcarbamoyl)-ethyl]-amino}-2-(6-methoxymethoxy-7-methyl-benzo[1,3]dioxol-4-yl)-ethyl ester	442663-48-1	C₄₇H₅₆IN₃O₁₃	997.878
——	[(2R)-2-(6-hydroxy-7-methyl-1,3-benzodioxol-4-yl)-2-[(5S)-5-[(2-iodo-4-methoxy-5-methyl-3-phenylmethoxyphenyl)methyl]-2-methyl-3,6-dioxopiperazin-1-yl]ethyl] acetate	442663-30-1	C₃₃H₃₅IN₂O₉	730.553
——	tert-butyl ((2S)-3-(3-(benzyloxy)-2-iodo-4-methoxy-5-methylphenyl)-1-(((R)-2-hydroxy-1-(6-(methoxymethoxy)-7-methylbenzo[d][1,3]dioxol-4-yl)ethyl)(1-((4-methoxyphenyl)amino)-1-oxopropan-2-yl)amino)-1-oxopropan-2-yl)carbamate	442663-47-0	C₄₅H₅₄IN₃O₁₂	955.841
——	tert-butyl N-[(2S)-1-[[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-[6-(methoxymethoxy)-7-methyl-1,3-benzodioxol-4-yl]ethyl]-[1-(4-methoxyanilino)-1-oxopropan-2-yl]amino]-3-(2-iodo-4-methoxy-5-methyl-3-phenylmethoxyphenyl)-1-oxopropan-2-yl]carbamate	442663-29-8	C₆₁H₇₂IN₃O₁₂Si	1194.25
——	[7-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-[[(1R)-2-hydroxy-2-methyl-1-phenylpropyl]amino]ethyl]-5-(methoxymethoxy)-1,3-benzodioxol-4-yl] trifluoromethanesulfonate	442663-23-2	C₃₈H₄₄F₃NO₉SSi	775.915
——	Trifluoro-methanesulfonic acid 7-((3R,5R)-6,6-dimethyl-2-oxo-5-phenyl-morpholin-3-yl)-5-methoxymethoxy-benzo[1,3]dioxol-4-yl ester	442663-41-4	C₂₂H₂₂F₃NO₉S	533.479
——	(R)-1-(((R)-2-((tert-butyldiphenylsilyl)oxy)-1-(6-(methoxymethoxy)-7-methylbenzo[d][1,3]dioxol-4-yl)ethyl)amino)-2-methyl-1-phenylpropan-2-ol	442663-43-6	C₃₈H₄₇NO₆Si	641.88
——	(3R,5R)-3-[7-hydroxy-6-(methoxymethoxy)-1,3-benzodioxol-4-yl]-6,6-dimethyl-5-phenylmorpholin-2-one	360778-72-9	C₂₁H₂₃NO₇	401.416
——	7-((R)-2-hydroxy-1-(((R)-2-hydroxy-2-methyl-1-phenylpropyl)amino)ethyl)-5-(methoxymethoxy)benzo[d][1,3]dioxol-4-yl trifluoromethanesulfonate	442663-42-5	C₂₂H₂₆F₃NO₉S	537.511
——	(S)-3-(3-Benzyloxy-2-iodo-4-methoxy-5-methyl-phenyl)-2-tert-butoxycarbonylamino-propionic acid methyl ester	442663-27-6	C₂₄H₃₀INO₆	555.41
——	(2S)-3-(2-iodo-4-methoxy-5-methyl-3-phenylmethoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid	442663-28-7	C₂₃H₂₈INO₆	541.383
——	(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-[6-(methoxymethoxy)-7-methyl-1,3-benzodioxol-4-yl]ethanamine	442663-24-3	C₂₈H₃₅NO₅Si	493.675
——	methyl (Z)-3-(2-iodo-4-methoxy-5-methyl-3-phenylmethoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]prop-2-enoate	442663-26-5	C₂₄H₂₈INO₆	553.394