(4R,5S,6S,7R)-hexahydro-5,6-O-isopropylidene-4,7-bis(phenylmethyl)-2H-1,3-diazepin-2-one | 170028-72-5
中文名称
——
中文别名
——
英文名称
(4R,5S,6S,7R)-hexahydro-5,6-O-isopropylidene-4,7-bis(phenylmethyl)-2H-1,3-diazepin-2-one
英文别名
(3aS,4R,8R,8aS)-4,8-dibenzyl-2,2-dimethyltetrahydro-3aH-[1,3]dioxolo[4,5-e][1,3]diazepin-6(7H)-one；(3aS,4R,8R,8aS)-4,8-dibenzyl-2,2-dimethyl-3a,4,5,7,8,8a-hexahydro-[1,3]dioxolo[4,5-e][1,3]diazepin-6-one
CAS
170028-72-5
化学式
C22H26N2O3
mdl
——
分子量
366.46
InChiKey
GZCURJYWZYKEDT-ZRNYENFQSA-N
BEILSTEIN
——
EINECS
——
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物化性质
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计算性质
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ADMET
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安全信息
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SDS
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制备方法与用途
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上下游信息
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文献信息
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表征谱图
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同类化合物
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相关功能分类
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相关结构分类
物化性质
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沸点：572.4±50.0 °C(Predicted)
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密度：1.130±0.06 g/cm3(Predicted)
计算性质
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辛醇/水分配系数(LogP)：3.5
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重原子数：27
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可旋转键数：4
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环数：4.0
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sp3杂化的碳原子比例：0.41
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拓扑面积：59.6
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氢给体数：2
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氢受体数：3
上下游信息
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上游原料
中文名称 英文名称 CAS号 化学式 分子量 —— dibenzyl ((1R,1'R)-((4S,5S)-2,2-dimethyl-1,3-dioxolane-4,5-diyl)bis(2-phenylethane-1,1-diyl))dicarbamate 177574-46-8 C37H40N2O6 608.734 —— (1R,1'R)-1,1'-((4S,5S)-2,2-dimethyl-1,3-dioxolane-4,5-diyl)bis(2-phenylethanamine) 170870-15-2 C21H28N2O2 340.466 —— (4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-diazepan-2-one 153223-11-1 C19H22N2O3 326.395 —— (2R,3S,4S,5R)-2,5-bis[N-(benzyloxycarbonyl)amino]-1,6-diphenyl-3,4-hexanediol 153223-10-0 C34H36N2O6 568.67 -
下游产品
中文名称 英文名称 CAS号 化学式 分子量 —— (4R,5S,6S,7R)-hexahydro-5,6-isopropylidenedioxy-4,7-bis(phenylmethyl)-2H-diazapin-2-one 180302-24-3 C36H38N2O3 546.709 —— (3aα,4β,8α,8aβ)-3,3'-[(dihydro-2,2-dimethyl-6-oxo-4,8-bis(phenylmethyl)-4H-1,3-dioxolo[4,5-e][1,3]diazepine-5,7(6H,8H)-diyl)bis(methylene)]bis[benzonitrile] 183860-60-8 C38H36N4O3 596.729 —— 3-[[(3aS,4R,8R,8aS)-4,8-dibenzyl-5-[(3-carbamoylphenyl)methyl]-2,2-dimethyl-6-oxo-3a,4,8,8a-tetrahydro-[1,3]dioxolo[4,5-e][1,3]diazepin-7-yl]methyl]benzamide 1053623-89-4 C38H40N4O5 632.759 —— 3-[[(3aS,4R,8R,8aS)-4,8-dibenzyl-2,2-dimethyl-5-[[3-(methylcarbamoyl)phenyl]methyl]-6-oxo-3a,4,8,8a-tetrahydro-[1,3]dioxolo[4,5-e][1,3]diazepin-7-yl]methyl]-N-methylbenzamide 1053726-82-1 C40H44N4O5 660.813 —— 3-[[(3aS,4R,8R,8aS)-4,8-dibenzyl-5-[[3-(dimethylcarbamoyl)phenyl]methyl]-2,2-dimethyl-6-oxo-3a,4,8,8a-tetrahydro-[1,3]dioxolo[4,5-e][1,3]diazepin-7-yl]methyl]-N,N-dimethylbenzamide 1055029-50-9 C42H48N4O5 688.867 —— 3-[[(3aS,4R,8R,8aS)-4,8-dibenzyl-5-[[3-(ethylcarbamoyl)phenyl]methyl]-2,2-dimethyl-6-oxo-3a,4,8,8a-tetrahydro-[1,3]dioxolo[4,5-e][1,3]diazepin-7-yl]methyl]-N-ethylbenzamide 1054662-16-6 C42H48N4O5 688.867 —— 3-[[(3aS,4R,8R,8aS)-4,8-dibenzyl-5-[[3-(butylcarbamoyl)phenyl]methyl]-2,2-dimethyl-6-oxo-3a,4,8,8a-tetrahydro-[1,3]dioxolo[4,5-e][1,3]diazepin-7-yl]methyl]-N-butylbenzamide 1054798-30-9 C46H56N4O5 744.974 —— 3-[[(3aS,4R,8R,8aS)-4,8-dibenzyl-2,2-dimethyl-6-oxo-5-[[3-(propylcarbamoyl)phenyl]methyl]-3a,4,8,8a-tetrahydro-[1,3]dioxolo[4,5-e][1,3]diazepin-7-yl]methyl]-N-propylbenzamide 1054627-62-1 C44H52N4O5 716.921 —— 3-[[(3aS,4R,8R,8aS)-4,8-dibenzyl-2,2-dimethyl-6-oxo-5-[[3-(propan-2-ylcarbamoyl)phenyl]methyl]-3a,4,8,8a-tetrahydro-[1,3]dioxolo[4,5-e][1,3]diazepin-7-yl]methyl]-N-propan-2-ylbenzamide 183860-52-8 C44H52N4O5 716.921 —— 3-[[(3aS,4R,8R,8aS)-4,8-dibenzyl-5-[(3-carbonochloridoylphenyl)methyl]-2,2-dimethyl-6-oxo-3a,4,8,8a-tetrahydro-[1,3]dioxolo[4,5-e][1,3]diazepin-7-yl]methyl]benzoyl chloride 1054626-65-1 C38H36Cl2N2O5 671.62 —— 3-[[(3aS,4R,8R,8aS)-4,8-dibenzyl-5-[[3-(cyanomethylcarbamoyl)phenyl]methyl]-2,2-dimethyl-6-oxo-3a,4,8,8a-tetrahydro-[1,3]dioxolo[4,5-e][1,3]diazepin-7-yl]methyl]-N-(cyanomethyl)benzamide 183860-54-0 C42H42N6O5 710.833 —— (3aα,4β,8α,8aβ)-3,3'-[(dihydro-2,2-dimethyl-6-oxo-4,8-bis(phenylmethyl)-4H-1,3-dioxolo[4,5-e][1,3]diazepine-5,7(6H,8H)-diyl)bis(methylene)]bis[benzoic acid] 183860-59-5 C38H38N2O7 634.729 —— 3-[[(3aS,4R,8R,8aS)-4,8-dibenzyl-5-[[3-(tert-butylcarbamoyl)phenyl]methyl]-2,2-dimethyl-6-oxo-3a,4,8,8a-tetrahydro-[1,3]dioxolo[4,5-e][1,3]diazepin-7-yl]methyl]-N-tert-butylbenzamide 1053263-56-1 C46H56N4O5 744.974 —— 3-[[(3aS,4R,8R,8aS)-4,8-dibenzyl-5-[[3-(hydrazinecarbonyl)phenyl]methyl]-2,2-dimethyl-6-oxo-3a,4,8,8a-tetrahydro-[1,3]dioxolo[4,5-e][1,3]diazepin-7-yl]methyl]benzohydrazide 183860-50-6 C38H42N6O5 662.789 —— 3-[[(3aS,4R,8R,8aS)-4,8-dibenzyl-5-[[3-(hydroxycarbamoyl)phenyl]methyl]-2,2-dimethyl-6-oxo-3a,4,8,8a-tetrahydro-[1,3]dioxolo[4,5-e][1,3]diazepin-7-yl]methyl]-N-hydroxybenzamide 183860-51-7 C38H40N4O7 664.758 —— 3-[[(3aS,4R,8R,8aS)-4,8-dibenzyl-5-[[3-(cyclopropylmethylcarbamoyl)phenyl]methyl]-2,2-dimethyl-6-oxo-3a,4,8,8a-tetrahydro-[1,3]dioxolo[4,5-e][1,3]diazepin-7-yl]methyl]-N-(cyclopropylmethyl)benzamide 183860-53-9 C46H52N4O5 740.943 —— dimethyl (3aα,4β,8α,8aβ)-3,3'-[(dihydro-2,2-dimethyl-6-oxo-4,8-bis(phenylmethyl)-4H-1,3-dioxolo[4,5-e][1,3]diazepine-5,7(6H,8H)-diyl)bis(methylene)]bis[benzoate] —— C40H42N2O7 662.783 —— 2-Fluoro-5-((3aS,4R,8R,8aS)-4,7,8-tribenzyl-2,2-dimethyl-6-oxo-hexahydro-1,3-dioxa-5,7-diaza-azulen-5-ylmethyl)-benzonitrile 180302-27-6 C37H36FN3O3 589.71 —— (3aS,4R,8R,8aS)-4,8-dibenzyl-2,2-dimethyl-5,7-bis[(3-nitrophenyl)methyl]-3a,4,8,8a-tetrahydro-[1,3]dioxolo[4,5-e][1,3]diazepin-6-one 1053741-29-9 C36H36N4O7 636.704 —— 3-[(3aS,4R,8R,8aS)-7-(3-Amino-benzyl)-4,8-dibenzyl-2,2-dimethyl-6-oxo-hexahydro-1,3-dioxa-5,7-diaza-azulen-5-ylmethyl]-N-tert-butyl-benzamide 1053732-20-9 C41H48N4O4 660.857 —— (4R,5S,6S,7R)-hexahydro-5,6-O-isopropylidene-4,7-bis(phenylmethyl)-1,3-bis<<4-<<(triphenylmethyl)oxy>methyl>phenyl>methyl>-2H-1,3-diazapin-2-one —— C76H70N2O5 1091.4 —— 5-((3aS,4R,8R,8aS)-4,8-Dibenzyl-7-butyl-2,2-dimethyl-6-oxo-hexahydro-1,3-dioxa-5,7-diaza-azulen-5-ylmethyl)-2-fluoro-benzonitrile 218445-75-1 C34H38FN3O3 555.692 —— 3-[(3aS,4R,8R,8aS)-4,8-Dibenzyl-7-(3-methoxy-benzyl)-2,2-dimethyl-6-oxo-hexahydro-1,3-dioxa-5,7-diaza-azulen-5-ylmethyl]-benzoic acid methyl ester 199738-27-7 C39H42N2O6 634.772 —— 3-[(3aS,4R,8R,8aS)-4,8-Dibenzyl-7-(3,5-dimethoxy-benzyl)-2,2-dimethyl-6-oxo-hexahydro-1,3-dioxa-5,7-diaza-azulen-5-ylmethyl]-benzoic acid methyl ester 199738-25-5 C40H44N2O7 664.799 —— 3-[(3aS,4R,8R,8aS)-7-(3-Amino-benzyl)-4,8-dibenzyl-2,2-dimethyl-6-oxo-hexahydro-1,3-dioxa-5,7-diaza-azulen-5-ylmethyl]-N-(1H-imidazol-2-yl)-benzamide 1053633-34-3 C40H42N6O4 670.811 —— N-tert-Butyl-3-[(3aS,4R,8R,8aS)-4,8-dibenzyl-2,2-dimethyl-7-(3-nitro-benzyl)-6-oxo-hexahydro-1,3-dioxa-5,7-diaza-azulen-5-ylmethyl]-benzamide 1053253-34-1 C41H46N4O6 690.839 —— 3-[[(3aS,4R,8R,8aS)-4,8-dibenzyl-2,2-dimethyl-6-oxo-5-[[3-(pyridin-2-ylcarbamoyl)phenyl]methyl]-3a,4,8,8a-tetrahydro-[1,3]dioxolo[4,5-e][1,3]diazepin-7-yl]methyl]-N-pyridin-2-ylbenzamide 183860-58-4 C48H46N6O5 786.93 —— (3aS,4R,8R,8aS)-5-(3-Amino-1H-indazol-5-ylmethyl)-4,7,8-tribenzyl-2,2-dimethyl-hexahydro-1,3-dioxa-5,7-diaza-azulen-6-one 180302-28-7 C37H39N5O3 601.748 —— 3-[(3aS,4R,8R,8aS)-4,8-Dibenzyl-2,2-dimethyl-7-(3-nitro-benzyl)-6-oxo-hexahydro-1,3-dioxa-5,7-diaza-azulen-5-ylmethyl]-benzoic acid methyl ester 1054795-51-5 C38H39N3O7 649.744 —— 3-[(3aS,4R,8R,8aS)-7-(3-Amino-benzyl)-4,8-dibenzyl-2,2-dimethyl-6-oxo-hexahydro-1,3-dioxa-5,7-diaza-azulen-5-ylmethyl]-N-pyrazin-2-yl-benzamide 1055036-64-0 C41H42N6O4 682.822 —— 3-[(3aS,4R,8R,8aS)-4,8-Dibenzyl-2,2-dimethyl-7-(3-nitro-benzyl)-6-oxo-hexahydro-1,3-dioxa-5,7-diaza-azulen-5-ylmethyl]-N-(1H-imidazol-2-yl)-benzamide 1054811-14-1 C40H40N6O6 700.794 —— 3-[(3aS,4R,8R,8aS)-4,8-Dibenzyl-7-(3-methoxy-benzyl)-2,2-dimethyl-6-oxo-hexahydro-1,3-dioxa-5,7-diaza-azulen-5-ylmethyl]-N-pyrazin-2-yl-benzamide 1054678-42-0 C42H43N5O5 697.834 —— (3aS,4R,8R,8aS)-5-(3-Amino-1H-indazol-5-ylmethyl)-4,8-dibenzyl-7-butyl-2,2-dimethyl-hexahydro-1,3-dioxa-5,7-diaza-azulen-6-one 548795-25-1 C34H41N5O3 567.731 —— 3-[(3aS,4R,8R,8aS)-7-(3-Amino-benzyl)-4,8-dibenzyl-2,2-dimethyl-6-oxo-hexahydro-1,3-dioxa-5,7-diaza-azulen-5-ylmethyl]-N-(1H-benzoimidazol-2-yl)-benzamide 1053629-22-3 C44H44N6O4 720.871 —— 3-[(3aS,4R,8R,8aS)-4,8-Dibenzyl-7-(3,5-dimethoxy-benzyl)-2,2-dimethyl-6-oxo-hexahydro-1,3-dioxa-5,7-diaza-azulen-5-ylmethyl]-N-pyridin-2-yl-benzamide 1054662-69-9 C44H46N4O6 726.872 —— 3-[(3aS,4R,8R,8aS)-4,8-Dibenzyl-7-(3,5-dimethoxy-benzyl)-2,2-dimethyl-6-oxo-hexahydro-1,3-dioxa-5,7-diaza-azulen-5-ylmethyl]-N-pyrazin-2-yl-benzamide 199738-26-6 C43H45N5O6 727.86 —— (3aS,4R,8R,8aS)-4,8-Dibenzyl-6-methoxy-2,2-dimethyl-4,5,8,8a-tetrahydro-3aH-1,3-dioxa-5,7-diaza-azulene 180302-25-4 C23H28N2O3 380.487 —— 3-[(3aS,4R,8R,8aS)-4,8-Dibenzyl-7-(3-methoxy-benzyl)-2,2-dimethyl-6-oxo-hexahydro-1,3-dioxa-5,7-diaza-azulen-5-ylmethyl]-N-(5-methyl-pyridin-2-yl)-benzamide 1053637-29-8 C44H46N4O5 710.873 —— 3-[(3aS,4R,8R,8aS)-4,8-Dibenzyl-7-(3-methoxy-benzyl)-2,2-dimethyl-6-oxo-hexahydro-1,3-dioxa-5,7-diaza-azulen-5-ylmethyl]-N-(6-methyl-pyridin-2-yl)-benzamide 1053258-68-6 C44H46N4O5 710.873 —— 3-[(3aS,4R,8R,8aS)-4,8-Dibenzyl-7-(3,5-dimethoxy-benzyl)-2,2-dimethyl-6-oxo-hexahydro-1,3-dioxa-5,7-diaza-azulen-5-ylmethyl]-N-(5-methyl-pyridin-2-yl)-benzamide 1053727-81-3 C45H48N4O6 740.899