(S)-5-chloro-α-(2,3-dimethoxyphenyl)-2-(3-hydroxy-2,2-dimethylpropyl)aminobenzyl alcohol | 189059-60-7
中文名称
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中文别名
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英文名称
(S)-5-chloro-α-(2,3-dimethoxyphenyl)-2-(3-hydroxy-2,2-dimethylpropyl)aminobenzyl alcohol
英文别名
(S)-5-chloro-2-(3-hydroxy-2,2-dimethylpropyl)amino-α-(2,3-dimethoxyphenyl)benzyl alcohol；3-({4-chloro-2-[(S)-(2,3-dimethoxyphenyl)(hydroxyl)methyl]phenyl}amino)-2,2-dimethyl-1-propanol；(S)-[5-chloro-2-(2,2-dimethyl-3-hydroxypropyl)aminophenyl](2,3-dimethoxyphenyl)methanol；3-[4-chloro-2-[(S)-(2,3-dimethoxyphenyl)-hydroxymethyl]anilino]-2,2-dimethylpropan-1-ol
CAS
189059-60-7
化学式
C20H26ClNO4
mdl
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分子量
379.884
InChiKey
LZQPDBALGRETOX-GOSISDBHSA-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
物化性质
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沸点：577.1±50.0 °C(Predicted)
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密度：1.225±0.06 g/cm3(Predicted)
计算性质
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辛醇/水分配系数(LogP)：4.3
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重原子数：26
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可旋转键数：8
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环数：2.0
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sp3杂化的碳原子比例：0.4
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拓扑面积：71
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氢给体数：3
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氢受体数：5
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 (S)-alpha-(2-氨基-5-氯苯基)-2,3-二甲氧基苯甲醇 (S)-2-amino-5-chloro-α-(2,3-dimethoxyphenyl)benzyl alcohol 189059-58-3 C15H16ClNO3 293.75 -
下游产品
中文名称 英文名称 CAS号 化学式 分子量 —— ethyl (S)-3-[N-[4-chloro-2-(α-hydroxy-2,3-dimethoxybenzyl)phenyl]-N-(3-hydroxy-2,2-dimethylpropyl)carbamoyl]acrylate 473987-05-2 C26H32ClNO7 505.996 —— (3R,5S)-7-chloro-5-(2,3-dimethoxyphenyl)-1-(3-hydroxy-2,2-dimethylpropyl)-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepine-3-acetic acid 189060-51-3 C24H28ClNO7 477.942 —— 4-[[[(3R,5S)-7-chloro-5-(2,3-dimethoxyphenyl)-1-(3-hydroxy-2,2-dimethylpropyl)-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepin-3-yl]acetyl]amino]butanoic acid 383658-74-0 C28H35ClN2O8 563.048 —— 5-[[[(3R,5S)-7-chloro-5-(2,3-dimethoxyphenyl)-1-(3-hydroxy-2,2-dimethylpropyl)-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepin-3-yl]acetyl]amino]pentanoic acid 383658-84-2 C29H37ClN2O8 577.074 —— methyl N-[[(3R,5S)-7-chloro-5-(2,3-dimethoxyphenyl)-1-(3-hydroxy-2,2-dimethylpropyl)-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepin-3-yl]acetyl]-β-alaninate 473987-10-9 C28H35ClN2O8 563.048 —— {2-[(3R,5S)-7-Chloro-5-(2,3-dimethoxy-phenyl)-1-(3-hydroxy-2,2-dimethyl-propyl)-2-oxo-1,2,3,5-tetrahydro-benzo[e][1,4]oxazepin-3-yl]-acetylamino}-acetic acid 473987-15-4 C26H31ClN2O8 534.994 —— methyl 4-[[[(3R,5S)-7-chloro-5-(2,3-dimethoxyphenyl)-1-(3-hydroxy-2,2-dimethylpropyl)-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepin-3-yl]acetyl]amino]butyrate 383669-08-7 C29H37ClN2O8 577.074 —— ethyl (3R,5S)-7-chloro-5-(2,3-dimethoxyphenyl)-1-(3-hydroxy-2,2-dimethylpropyl)-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepine-3-acetate 189059-61-8 C26H32ClNO7 505.996 —— methyl 5-[[[(3R,5S)-7-chloro-5-(2,3-dimethoxyphenyl)-1-(3-hydroxy-2,2-dimethylpropyl)-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepin-3-yl]acetyl]amino]pentanoate 383669-14-5 C30H39ClN2O8 591.101 —— methyl N-[[(3R,5S)-7-chloro-5-(2,3-dimethoxyphenyl)-1-(3-hydroxy-2,2-dimethylpropyl)-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepin-3-yl]acetyl]glycinate 473987-08-5 C27H33ClN2O8 549.021 —— (2R)-2-[[(3R,5S)-7-chloro-5-(2,3-dimethoxyphenyl)-1-(3-hydroxy-2,2-dimethylpropyl)-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepin-3-yl]acetyl]aminopropionic acid 383654-14-6 C27H33ClN2O8 549.021 —— (2S)-2-[[(3R,5S)-7-chloro-5-(2,3-dimethoxyphenyl)-1-(3-hydroxy-2,2-dimethylpropyl)-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepin-3-yl]acetyl]aminopropionic acid 383654-03-3 C27H33ClN2O8 549.021 拉帕司他 N-[[(3R,5S)-1-(3-hydroxy-2,2-dimethylpropyl)-7-chloro-5-(2,3-dimethoxyphenyl)-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepin-3-yl]acetyl]piperidine-4-acetic acid 189059-71-0 C31H39ClN2O8 603.112 —— methyl N-[[(3R,5S)-7-chloro-5-(2,3-dimethoxyphenyl)-1-(3-hydroxy-2,2-dimethylpropyl)-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepin-3-yl]acetyl]-D-alaninate 383662-15-5 C28H35ClN2O8 563.048 —— N-[(3R,5S)-7-chloro-5-(2,3-dimethoxyphenyl)-1-(3-hydroxy-2,2-dimethylpropyl)-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepine-3-acetyl]piperidine-4-carboxylic acid —— C30H37ClN2O8 589.085 —— benzyl N-[[(3R,5S)-7-chloro-5-(2,3-dimethoxyphenyl)-1-(3-hydroxy-2,2-dimethylpropyl)-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepin-3-yl]acetyl]-N-methylglycinate 473987-09-6 C34H39ClN2O8 639.145 —— ethyl N-[[(3R,5S)-7-chloro-5-(2,3-dimethoxyphenyl)-1-(3-hydroxy-2,2-dimethylpropyl)-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepin-3-yl]acetyl]-L-alaninate 383662-10-0 C29H37ClN2O8 577.074 —— methyl 1-[[(3R,5S)-7-chloro-5-(2,3-dimethoxyphenyl)-1-(3-hydroxy-2,2-dimethylpropyl)-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepin-3-yl]acetyl]piperidine-4-carboxylate 189059-66-3 C31H39ClN2O8 603.112 —— N-[[(3R,5S)-7-chloro-5-(2,3-dimethoxyphenyl)-1-(3-hydroxy-2,2-dimethylpropyl)-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepin-3-yl]acetyl]-D-leucine 383653-71-2 C30H39ClN2O8 591.101 —— ethyl 1-[[(3R,5S)-7-chloro-5-(2,3-dimethoxyphenyl)-1-(3-hydroxy-2,2-dimethylpropyl)-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepin-3-yl]acetyl]piperidine-4-acetate 189059-65-2 C33H43ClN2O8 631.166 —— ethyl 1-[[(3R,5S)-7-chloro-5-(2,3-dimethoxyphenyl)-1-(3-hydroxy-2,2-dimethylpropyl)-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepin-3-yl]acetyl]piperidine-4-propionate 473987-13-2 C34H45ClN2O8 645.193 拉帕司他 (1-{2-[(3R,5S)-1-(3-Acetoxy-2,2-dimethyl-propyl)-7-chloro-5-(2,3-dimethoxy-phenyl)-2-oxo-1,2,3,5-tetrahydro-benzo[e][1,4]oxazepin-3-yl]-acetyl}-piperidin-4-yl)-acetic acid 189060-13-7 C33H41ClN2O9 645.15 —— ethyl 1-[[(3R,5S)-7-chloro-5-(2,3-dimethoxyphenyl)-1-(3-hydroxy-2,2-dimethylpropyl)-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepin-3-yl]acetyl]piperidine-4-butyrate 473987-14-3 C35H47ClN2O8 659.22 —— benzyl 1-[[(3R,5S)-7-chloro-1-(3-hydroxy-2,2-dimethylpropyl)-2-oxo-1,2,3,5-tetrahydro-5-(2,3-dimethoxyphenyl)-4,1-benzoxazepin-3-yl]acetyl]piperidine-4-acetate 473987-20-1 C38H45ClN2O8 693.237 —— 1-[[(3R,5S)-7-chloro-5-(2,3-dimethoxyphenyl)-1-[2,2-dimethyl-3-(pivaloyloxymethyloxy)propyl]-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepin-3-yl]acetyl]piperidine-4-acetic acid —— C37H49ClN2O10 717.256 —— methyl N-[[(3R,5S)-7-chloro-5-(2,3-dimethoxyphenyl)-1-(3-hydroxy-2,2-dimethylpropyl)-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepin-3-yl]acetyl]-D-leucine 383661-79-8 C31H41ClN2O8 605.128 —— benzyl 1-[[(3R,5S)-7-chloro-5-(2,3-dimethoxyphenyl)-1-[2,2-dimethyl-3-(propionyloxy)propyl]-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepin-3-yl]acetyl]piperidine-4-acetate 473987-21-2 C41H49ClN2O9 749.301 —— benzyl 1-[[(3R,5S)-1-[3-(butyryloxy)-2,2-dimethylpropyl]-7-chloro-5-(2,3-dimethoxyphenyl)-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepin-3-yl]acetyl]piperidine-4-acetate 473987-22-3 C42H51ClN2O9 763.328 —— benzyl 1-[[(3R,5S)-7-chloro-5-(2,3-dimethoxyphenyl)-1-[2,2-dimethyl-3-(isobutyryloxy)propyl]-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepin-3-yl]acetyl]piperidine-4-acetate 473987-23-4 C42H51ClN2O9 763.328 —— benzyl 1-[[(3R,5S)-7-chloro-5-(2,3-dimethoxyphenyl)-1-[2,2-dimethyl-3-(pivaloyloxymethyloxy)propyl]-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepin-3-yl]acetyl]piperidine-4-acetate 473987-24-5 C44H55ClN2O10 807.381 - 1
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反应信息
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作为反应物：描述：(S)-5-chloro-α-(2,3-dimethoxyphenyl)-2-(3-hydroxy-2,2-dimethylpropyl)aminobenzyl alcohol 在 sodium hydroxide 、 diethylphosphoryl cyanide 、 碳酸氢钠 、 potassium carbonate 、 三乙胺 作用下， 以 乙醇 、 乙酸乙酯 、 N,N-二甲基甲酰胺 为溶剂， 反应 3.5h， 生成 拉帕司他