<3S-(1Z,3α,5β)>-<2-<3-Fluoro-5-<<(1,1-dimethylethyl)dimethylsilyl>oxy>-2-methylenecyclohexylidene>ethyl>diphenylphosphine Oxide | 123836-63-5
中文名称
——
中文别名
——
英文名称
<3S-(1Z,3α,5β)>-<2-<3-Fluoro-5-<<(1,1-dimethylethyl)dimethylsilyl>oxy>-2-methylenecyclohexylidene>ethyl>diphenylphosphine Oxide
英文别名
[3S-(1Z,3α,5β)]-[2-[3-fluoro-5-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-2-methylenecyclohexylidene]ethyl]diphenylphosphine oxide；[(2Z)-2-[(3S,5R)-5-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-3-fluoro-2-methylenecyclohexylidene]-ethyl]diphenylphosphine oxide；(15,5R)-1-((tert-butyldimethyl)silanyloxy)-3-[2-(diphenylphosphinoyl)-eth-(Z)-ylidene]-5-fluoro-2-methylene-cyclohexane；(1S,5R)-1-((tert-butyldimethyl)silanyloxy)-3-[2-(diphenylphosphinoyl)-eth-(Z)-ylidene]-5-fluoro-2-methylene-cyclohexane；(1S,5R)-1-((tert-butyldimethyl)silanyloxy)-3-[2-(diphenylfosphinoyl)-eth-(Z)-ylidene]-5-fluoro-2-methylene-cyclohexane；(1S,3Z,5R)-1-fluoro-5-((t-butyldimethyl)silanyloxy)-2-methenyl-3-(diphenylphosphinoyl)ethylidene cyclohexane；tert-butyl-[(1R,3Z,5S)-3-(2-diphenylphosphorylethylidene)-5-fluoro-4-methylidenecyclohexyl]oxy-dimethylsilane
CAS
123836-63-5
化学式
C27H36FO2PSi
mdl
——
分子量
470.639
InChiKey
IGIUNYVEBAUZSE-LQBLIBPBSA-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：509.1±50.0 °C(Predicted)
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密度：1.07±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)
计算性质
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辛醇/水分配系数(LogP)：7.01
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重原子数：32
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可旋转键数：7
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环数：3.0
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sp3杂化的碳原子比例：0.41
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拓扑面积：26.3
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氢给体数：0
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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 —— <3S-(1Z,3β,5α)>-<3-Fluoro-5-<<(1,1-dimethylethyl)dimethylsilyl>oxy>-2-methylenecyclohexylidene>ethanol 123836-61-3 C15H27FO2Si 286.462 —— [3S-(1E,3β,5α)]-[3-fluoro-5-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-2-methylenecyclohexylidene]ethanol 367487-78-3 C15H27FO2Si 286.462 —— <1R-(1β,3Z,5α)>-<<3-(2-Chloroethylidene)-5-fluoro-4-methylenecyclohexyl>oxy>(1,1-dimethylethyl)dimethylsilane 123836-62-4 C15H26ClFOSi 304.908 —— benzoic acid 2-[(3S,5R)-5-(tert-butyl-dimethyl-silanyloxy)-3-fluoro-2-methylene-cyclohex-(Z)-ylidene]-ethyl ester 926315-15-3 C22H31FO3Si 390.57 —— (Z,3S,5R)-[5-((tert-butyldimethylsilanyl)oxy)-3-fluoro-2-methylenecyclohexylidene]acetic acid methyl ester 214212-21-2 C16H27FO3Si 314.472 —— <3S-(1Z,3β,5α)>-<3-Fluoro-5-<<(1,1-dimethylethyl)dimethylsilyl>oxy>-2-methylenecyclohexylidene>acetic Acid Ethyl Ester 123930-10-9 C17H29FO3Si 328.499 —— <3S-(1E,3β,5α)>-<3-Fluoro-5-<<(1,1-dimethylethyl)dimethylsilyl>oxy>-2-methylenecyclohexylidene>acetic Acid Ethyl Ester 123836-60-2 C17H29FO3Si 328.499 —— tert-butyl (2E)-2-[(3S,5R)-5-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-3-fluoro-2-methylene-cyclohexylidene]acetate 367487-77-2 C19H33FO3Si 356.553 -
下游产品
中文名称 英文名称 CAS号 化学式 分子量 —— tert-butyl(((1R,3S,Z)-3-fluoro-5-(2-((1R,3aS,7aR,E)-7a-methyl-1-((R,E)-6-methylhepta-3,5-dien-2-yl)octahydro-4H-inden-4-ylidene)ethylidene)-4-methylenecyclohexyl)oxy)dimethylsilane 1384130-50-0 C33H53FOSi 512.867 —— <<(1α,3β,5Z,7E,22E)-3-<<(1,1-Dimethylethyl)dimethylsilyl>oxy>-1-fluoro-9,10-secoergosta-5,7,10(19),22-tetraen-25-yl>oxy>trimethylsilane 123836-65-7 C34H57FO2Si 544.909 —— <<(1α,3β,5Z,7E)-3-<<(1,1-Dimethylethyl)dimethylsilyl>oxy>-1-fluoro-9,10-secocholesta-5,7,10(19)-trien-25-yl>oxy>-trimethylsilane 123836-64-6 C36H65FO2Si2 605.08 —— 8-((1R,3aS,7aR,E)-4-((Z)-2-((3S,5R)-5-((tert-butyldimethylsilyl)oxy)-3-fluoro-2-methylenecyclohexylidene)ethylidene)-7a-methyloctahydro-1H-inden-1-yl)-2,2,4,4,8,12,12,14,14-nonamethyl-3,13-dioxa-2,14-disilapentadecane 910624-23-6 C45H85FO3Si3 777.423 —— tert-butyl(((1R,5S,Z)-3-(2-((3aS,7aS,E)-1-((S,E)-6-ethyl-6-((trimethylsilyl)oxy)oct-4-en-2-yl)-7a-methyl-3,3a,5,6,7,7a-hexahydro-4H-inden-4-ylidene)ethylidene)-5-fluoro-4-methylenecyclohexyl)oxy)dimethylsilane 199798-99-7 C38H65FO2Si2 629.102 —— (S,E)-8-((1R,3aS,7aR,E)-4-((Z)-2-((3S,5R)-5-((tert-butyldimethylsilyl)oxy)-3-fluoro-2-methylenecyclohexylidene)ethylidene)-7a-methyloctahydro-1H-inden-1-yl)-2,2,8,12,12,14,14-heptamethyl-4,4-bis(trifluoromethyl)-3,13-dioxa-2,14-disilapentadec-5-ene 1014717-83-9 C45H77F7O3Si3 883.35 —— (S,Z)-8-((1R,3aS,7aR,E)-4-((Z)-2-((3S,5R)-5-((tert-butyldimethylsilyl)oxy)-3-fluoro-2-methylenecyclohexylidene)ethylidene)-7a-methyloctahydro-1H-inden-1-yl)-2,2,8,12,12,14,14-heptamethyl-4,4-bis(trifluoromethyl)-3,13-dioxa-2,14-disilapentadec-5-ene 1014717-82-8 C45H77F7O3Si3 883.35 —— (R,Z)-8-((1R,3aS,7aR,E)-4-((Z)-2-((3S,5R)-5-((tert-butyldimethylsilyl)oxy)-3-fluoro-2-methylenecyclohexylidene)ethylidene)-7a-methyloctahydro-1H-inden-1-yl)-2,2,8,12,12,14,14-heptamethyl-4,4-bis(trifluoromethyl)-3,13-dioxa-2,14-disilapentadec-5-ene 910624-39-4 C45H77F7O3Si3 883.35 —— tert-butyl(((1R,3S,Z)-3-fluoro-5-(2-((1R,3aS,7aR,E)-7a-methyl-1-(1-(4-(methyl-d3)-4-((trimethylsilyl)oxy)pentyl-5,5,5-d3)cyclopropyl)octahydro-4H-inden-4-ylidene)ethylidene)-4-methylenecyclohexyl)oxy)dimethylsilane 1014718-14-9 C37H65FO2Si2 623.044 —— 1α-fluoro-3β-tert-butyl-dimethyl-silanyloxy-25-trimethylsilanyloxy-16-ene-20-cyclopropyl-23,24-yne-cholecalciferol 881692-45-1 C37H59FO2Si2 611.044 —— 1α-tert-butyl-dimethyl-silanyloxy-3β-fluoro-25-trimethylsilanyloxy-16-ene-20-cyclopropyl-26,27-hexadeutero-cholecalciferol 1014718-19-4 C37H63FO2Si2 621.028 —— (R)-8-((1R,3aS,7aR,E)-4-((Z)-2-((3S,5R)-5-((tert-butyldimethylsilyl)oxy)-3-fluoro-2-methylenecyclohexylidene)ethylidene)-7a-methyloctahydro-1H-inden-1-yl)-2,2,8,12,12,14,14-heptamethyl-4,4-bis(trifluoromethyl)-3,13-dioxa-2,14-disilapentadec-5-yne 910624-36-1 C45H75F7O3Si3 881.334 - 1
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反应信息
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作为反应物：参考文献：名称：Total synthesis of 1.alpha.-fluoro-25-hydroxycholecalciferol and -ergocalciferol摘要：DOI：10.1021/jo00288a040
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作为产物：描述：(2R,3S,7S)-[7-((t-butyldimethyl)silanyloxy)-4-methylene-1-oxa-spiro[2.5]oct-2-yl]-methanol 在 吡啶 、 叔丁基过氧化氢 、 selenium(IV) oxide 、 三光气 、 二乙胺基三氟化硫 、 sodium methylate 、 sodium hydride 、 三苯基膦 作用下， 以