203866-15-3 N-Boc-4,4-二氟-L-脯氨酸

中文名称: N-Boc-4,4-二氟-L-脯氨酸
英文名称: N-Boc-4,4-difluoro-L-proline
CAS号

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名称和标识

中文名: N-Boc-4,4-二氟-L-脯氨酸
英文名: N-Boc-4,4-difluoro-L-proline
CAS号: 203866-15-3
分子式: C10H15F2NO4
分子量: 251.23
中文别名: (S)-1-Boc-4,4-二氟-2-吡咯烷羧酸; (S)-1-(叔丁氧羰基)-4,4-二氟-2-吡咯烷羧酸; N-(叔丁氧羰基)-4,4-二氟-L-脯氨酸; (S)-1-叔丁氧羰基-4,4-二氟吡咯烷-2-甲酸; (S)-1-(叔丁氧基羰基)-4,4-二氟-2-羧酸吡咯烷; (S)-1-叔丁氧羰基-4,4-二氟-2-吡咯烷甲酸; BOC-4,4-二氟-L-脯氨酸
英文别名: (2S)-4,4-difluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid; N-(tert-Butoxycarbonyl)-4,4-difluoro-L-proline; BOC-L-4,4-DIFLUOROPROLINE; (2s)-1-(tert-butoxycarbonyl)-4,4-difluoropyrrolidine-2-carboxylic acid; (S)-1-(tert-Butoxycarbonyl)-4,4-difluoro-2-pyrrolidinecarboxylic Acid; (S)-1-(tert-Butoxycarbonyl)-4,4-difluoropyrrolidine-2-carboxylic acid; 1-(tert-butoxycarbonyl)-4,4-difluoro-L-proline; N-t-BOC-4,4-Difluoro-L-proline; (S)-1-Boc-4,4-difluoro-2-pyrrolidinecarboxylic Acid; 1-(tert-butoxycarbonyl)-4,4-difluoropyrrolidine-(2S)-carboxylic acid; N-Boc-(2S)-4,4-difluoroproline; BOC-4,4-DIFLUORO-L-PROLINE; BOC-L-PRO(4,4-DIFLUORO); (2S)-Boc-4,4-difluoro-pyrrolidine-2-carboxylic acid; 4,4-Difluoro-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-proline

物化属性

Ali LogS: -2.55
ESOL LogS: -2.1
MLOGP: 1.03
SILICOS-IT LogP: 0.7
SILICOS-IT LogS: -0.92

安全信息

安全说明

常温运输。非危险化学品。WGK Germany:3，海关编码29339900，存储类别11 - 可燃固体。具有眼部刺激（类别2）、经皮刺激（类别2）、特异性靶器官毒性-一次接触（类别3）的危险性。信号词Warning，危险性描述H315、H319、H335，防范说明P261、P305+P351+P338，危险标志GHS07。

生产及用途

用途与制备

N-Boc-4,4-二氟-L-脯氨酸是有机合成中间体和医药中间体，可用于实验室研发过程和化工生产过程中。

医药; 有机合成

路线1：碱性水解法

步骤: 将1.08g（4.08mmol）(S)-2-甲基-4-吡咯烷-1,4-二氟吡咯烷-2-甲酸叔丁酯（购自Aldrich，目录号702463）溶于10mL甲醇和10mL四氢呋喃的混合溶剂中；加入6.12mL 2M氢氧化钠水溶液；室温搅拌1小时；减压除去有机溶剂；剩余水相用适量水稀释，加入6.12mL 2M盐酸酸化；用二氯甲烷萃取（3次），合并有机层，盐水洗涤，无水硫酸镁干燥，过滤后减压除去溶剂。
条件: 20℃，1小时；
收率: 99%；
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