benzhydryl 2β-hydroxymethyl-1,1-dioxopenicillanate | 182750-65-8
中文名称
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中文别名
——
英文名称
benzhydryl 2β-hydroxymethyl-1,1-dioxopenicillanate
英文别名
(2S,3R,5R)-benzhydryl 3-(hydroxymethyl)-3-methyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate 4,4-dioxide；benzhydryl (2S,3R,5R)-3-(hydroxymethyl)-3-methyl-4,4,7-trioxo-4lambda6-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate；benzhydryl (2S,3R,5R)-3-(hydroxymethyl)-3-methyl-4,4,7-trioxo-4λ6-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
CAS
182750-65-8
化学式
C21H21NO6S
mdl
——
分子量
415.467
InChiKey
NLGIIZCCQJOHED-LMNJBCLMSA-N
BEILSTEIN
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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
计算性质
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辛醇/水分配系数(LogP)：1.43
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重原子数：29.0
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可旋转键数：5.0
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环数：4.0
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sp3杂化的碳原子比例：0.33
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拓扑面积：100.98
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氢给体数：1.0
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氢受体数：6.0
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 —— benzhydryl 2β-(chloroacetoxy)methyl-1,1-dioxo-penicillanate 182750-64-7 C23H22ClNO7S 491.949 (2S,5R)-3,3-二甲基-7-氧代-4-硫杂-1-氮杂双环[3.2.0]庚烷-2-羧酸二苯甲酯 4-氧化物 benzhydryl 6,6-dihydropenicillanate-1-oxide 87579-78-0 C21H21NO4S 383.468 (2S,5R,6S)-二苯基甲基6-溴代-3,3-二甲基-7-氧代-4-硫杂-1-氮杂双环[3.2.0]庚烷-2-羧酸酯4-氧化物 benzhydryl 6α-bromopenicillanate-1-oxide 80353-26-0 C21H20BrNO4S 462.364 —— benzhydryl 2β-(chloroacetoxy)methyl-penicillanate —— C23H22ClNO5S 459.95 6-氨基青霉烷酸 6-Aminopenicillanic Acid 551-16-6 C8H12N2O3S 216.261 [2S-(2alpha,5alpha,6alpha)]-6-溴-3,3-二甲基-7-氧代-4-硫杂-1-氮杂双环[3.2.0]庚烷-2-羧酸 6-bromopenicillanic acid 24138-28-1 C8H10BrNO3S 280.142 舒巴坦杂质19 benzhydryl 2-[4-(2-benzothiazolyldithio)-2-oxoazetidinyl-1]-2-(isopropyl)acetate 87579-79-1 C28H24N2O3S3 532.708 -
下游产品
中文名称 英文名称 CAS号 化学式 分子量 —— (2S,3R,5R)-3-Methyl-4,4,7-trioxo-4λ6-thia-1-aza-bicyclo[3.2.0]heptane-2,3-dicarboxylic acid 2-benzhydryl ester 182750-66-9 C21H19NO7S 429.45 —— diphenylmethyl (2S,3R,5R)-3-formyl-3-methyl-4,4,7-trioxo-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylate 188249-92-5 C21H19NO6S 413.451 —— diphenylmethyl (2S,3R,5R)-3-(hydroxyimino)methyl-3-methyl-4,4,7-trioxo-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylate 188249-95-8 C21H20N2O6S 428.466 —— diphenylmethyl (2S,3R,5R)-3-(methoxyimino)methyl-3-methyl-4,4,7-trioxo-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylate 188249-93-6 C22H22N2O6S 442.492 —— diphenylmethyl (2S,3R,5R)-3-(ethoxyimino)methyl-3-methyl-4,4,7-trioxo-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylate 188250-00-2 C23H24N2O6S 456.519 —— diphenylmethyl (2S,3R,5R)-3-(t-butoxyimino)methyl-3-methyl-4,4,7-trioxo-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylate 188250-10-4 C25H28N2O6S 484.573 —— diphenylmethyl (2S,3R,5R)-3-[(2-hydroxyethoxy)imino]methyl-3-methyl-4,4,7-trioxo-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylate 188250-02-4 C23H24N2O7S 472.519 —— diphenylmethyl (2S,3R,5R)-3-(allyloxyimino)methyl-3-methyl-4,4,7-trioxo-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylate 188249-97-0 C24H24N2O6S 468.53 —— diphenylmethyl (2S,3R,5R)-3-(carbamoylmethoxyimino)methyl-3-methyl-4,4,7-trioxo-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylate 757167-94-5 C23H23N3O7S 485.518 —— diphenylmethyl (2S,3R,5R)-3-(methoxymethyloxyimino)methyl-3-methyl-4,4,7-trioxo-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylate 188250-08-0 C23H24N2O7S 472.519 —— diphenylmethyl (2S,3R,5R)-3-(cyclopropylmethoxyimino)methyl-3-methyl-4,4,7-trioxo-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylate 188250-17-1 C25H26N2O6S 482.557 —— diphenylmethyl (2S,3R,5R)-3-(carboxymethyloxyimino)methyl-3-methyl-4,4,7-trioxo-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylate 188250-19-3 C36H32N2O8S 652.725 —— diphenylmethyl (2S,3R,5R)-3-(t-butoxycarbonylmethoxyimino)methyl-3-methyl-4,4,7-trioxo-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylate 188250-21-7 C27H30N2O8S 542.61 —— diphenylmethyl (2S,3R,5R)-3-methyl-3-[2-(1H-1,2,3-triazol-1-yl)ethoxyimino]methyl-4,4,7-trioxo-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylate 188250-24-0 C25H25N5O6S 523.569 —— diphenylmethyl (2S,3R,5R)-3-(acetylhydrazono)methyl-3-methyl-4,4,7-trioxo-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylate 188250-29-5 C23H23N3O6S 469.518 —— diphenylmethyl (2S,3R,5R)-3-methyl-4,4,7-trioxo-3-(semicarbazono)methyl-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylate 188250-35-3 C22H22N4O6S 470.506 —— diphenylmethyl (2S,3R,5R)-3-methyl-4,4,7-trioxo-3-(thiosemicarbazono)methyl-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylate 188250-38-6 C22H22N4O5S2 486.572 —— diphenylmethyl (2S,3R,5R)-3-methyl-4,4,7-trioxo-3-[(pyridin-2-yl)methoxyimino]methyl-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylate 188250-26-2 C27H25N3O6S 519.578 —— diphenylmethyl (2S,3R,5R)-3-(benzyloxycarbonylhydrazono)methyl-3-methyl-4,4,7-trioxo-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylate 188250-40-0 C29H27N3O7S 561.615 —— benzhydryl (2S,3R,5R)-3-carbonochloridoyl-3-methyl-4,4,7-trioxo-4lambda6-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate 1026477-53-1 C21H18ClNO6S 447.896 —— diphenylmethyl (2S,3R,5R)-3-(benzoylhydrazono)methyl-3-methyl-4,4,7-trioxo-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylate 188250-33-1 C28H25N3O6S 531.589 - 1
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反应信息
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作为反应物：描述：benzhydryl 2β-hydroxymethyl-1,1-dioxopenicillanate 在 palladium on activated charcoal 盐酸 、 氢气 、 pyridinium chlorochromate 作用下， 以 乙醇 、